USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 164:sc= 0.261 USER MOD Set 1.2: A 97 THR OG1 : rot 47:sc= -0.077 USER MOD Set 2.1: A 57 CYS SG : rot 77:sc= 0.187 USER MOD Set 2.2: A 89 HIS : no HE2:sc= -0.61 K(o=-0.42,f=-3.4!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0953 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00161) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-11!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0654 USER MOD Single : A 47 ASN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 53 THR OG1 : rot 4:sc= 1.29 USER MOD Single : A 54 SER OG : rot -55:sc= 0.0523 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.0069) USER MOD Single : A 65 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 67 SER OG : rot 109:sc= 0.329 USER MOD Single : A 69 GLN : amide:sc= -0.0542 K(o=-0.054,f=-1.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.843 USER MOD Single : A 80 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.77) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 165:sc= 0 USER MOD Single : A 87 CYS SG : rot -42:sc= -0.349 USER MOD Single : A 90 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.64) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 15.621 -2.155 4.125 1.00 30.25 N ATOM 64 CA VAL A 7 16.082 -3.538 4.120 1.00 55.20 C ATOM 65 C VAL A 7 15.267 -4.393 5.084 1.00 0.12 C ATOM 66 O VAL A 7 14.664 -5.392 4.689 1.00 62.13 O ATOM 67 CB VAL A 7 17.571 -3.634 4.499 1.00 75.11 C ATOM 68 CG1 VAL A 7 18.079 -5.056 4.312 1.00 64.01 C ATOM 69 CG2 VAL A 7 18.394 -2.653 3.679 1.00 50.52 C ATOM 0 HA VAL A 7 15.948 -3.913 3.105 1.00 55.20 H new ATOM 0 HB VAL A 7 17.678 -3.371 5.551 1.00 75.11 H new ATOM 0 HG11 VAL A 7 19.133 -5.105 4.585 1.00 64.01 H new ATOM 0 HG12 VAL A 7 17.508 -5.733 4.948 1.00 64.01 H new ATOM 0 HG13 VAL A 7 17.960 -5.351 3.269 1.00 64.01 H new ATOM 0 HG21 VAL A 7 19.444 -2.735 3.960 1.00 50.52 H new ATOM 0 HG22 VAL A 7 18.283 -2.882 2.619 1.00 50.52 H new ATOM 0 HG23 VAL A 7 18.045 -1.638 3.869 1.00 50.52 H new ATOM 79 N LEU A 8 15.252 -3.994 6.351 1.00 14.21 N ATOM 80 CA LEU A 8 14.509 -4.723 7.374 1.00 71.53 C ATOM 81 C LEU A 8 13.495 -3.816 8.062 1.00 1.41 C ATOM 82 O LEU A 8 13.799 -2.671 8.398 1.00 43.51 O ATOM 83 CB LEU A 8 15.471 -5.309 8.409 1.00 11.02 C ATOM 84 CG LEU A 8 16.681 -6.059 7.852 1.00 15.01 C ATOM 85 CD1 LEU A 8 17.483 -6.691 8.980 1.00 61.11 C ATOM 86 CD2 LEU A 8 16.238 -7.118 6.852 1.00 72.51 C ATOM 0 H LEU A 8 15.745 -3.170 6.695 1.00 14.21 H new ATOM 0 HA LEU A 8 13.969 -5.535 6.887 1.00 71.53 H new ATOM 0 HB2 LEU A 8 15.831 -4.497 9.041 1.00 11.02 H new ATOM 0 HB3 LEU A 8 14.912 -5.989 9.051 1.00 11.02 H new ATOM 0 HG LEU A 8 17.321 -5.344 7.335 1.00 15.01 H new ATOM 0 HD11 LEU A 8 18.340 -7.221 8.565 1.00 61.11 H new ATOM 0 HD12 LEU A 8 17.831 -5.913 9.659 1.00 61.11 H new ATOM 0 HD13 LEU A 8 16.853 -7.393 9.526 1.00 61.11 H new ATOM 0 HD21 LEU A 8 17.112 -7.642 6.466 1.00 72.51 H new ATOM 0 HD22 LEU A 8 15.577 -7.830 7.345 1.00 72.51 H new ATOM 0 HD23 LEU A 8 15.707 -6.641 6.028 1.00 72.51 H new ATOM 98 N SER A 9 12.289 -4.335 8.270 1.00 2.00 N ATOM 99 CA SER A 9 11.229 -3.571 8.917 1.00 40.11 C ATOM 100 C SER A 9 11.308 -3.708 10.434 1.00 53.31 C ATOM 101 O SER A 9 12.266 -4.265 10.969 1.00 32.31 O ATOM 102 CB SER A 9 9.859 -4.039 8.422 1.00 13.42 C ATOM 103 OG SER A 9 9.569 -5.346 8.887 1.00 44.40 O ATOM 0 H SER A 9 12.022 -5.282 8.000 1.00 2.00 H new ATOM 0 HA SER A 9 11.362 -2.521 8.657 1.00 40.11 H new ATOM 0 HB2 SER A 9 9.089 -3.348 8.765 1.00 13.42 H new ATOM 0 HB3 SER A 9 9.838 -4.024 7.332 1.00 13.42 H new ATOM 0 HG SER A 9 8.688 -5.622 8.559 1.00 44.40 H new ATOM 109 N GLY A 10 10.293 -3.194 11.122 1.00 13.00 N ATOM 110 CA GLY A 10 10.266 -3.270 12.571 1.00 62.03 C ATOM 111 C GLY A 10 10.391 -4.692 13.081 1.00 63.43 C ATOM 112 O GLY A 10 11.217 -4.977 13.947 1.00 71.52 O ATOM 0 H GLY A 10 9.489 -2.727 10.702 1.00 13.00 H new ATOM 0 HA2 GLY A 10 11.079 -2.669 12.978 1.00 62.03 H new ATOM 0 HA3 GLY A 10 9.335 -2.837 12.937 1.00 62.03 H new ATOM 116 N GLY A 11 9.568 -5.586 12.543 1.00 61.22 N ATOM 117 CA GLY A 11 9.605 -6.975 12.962 1.00 21.50 C ATOM 118 C GLY A 11 10.920 -7.648 12.624 1.00 55.23 C ATOM 119 O GLY A 11 11.527 -8.302 13.472 1.00 11.31 O ATOM 0 H GLY A 11 8.876 -5.373 11.824 1.00 61.22 H new ATOM 0 HA2 GLY A 11 9.438 -7.031 14.038 1.00 21.50 H new ATOM 0 HA3 GLY A 11 8.789 -7.517 12.484 1.00 21.50 H new ATOM 123 N GLU A 12 11.360 -7.490 11.379 1.00 60.24 N ATOM 124 CA GLU A 12 12.611 -8.090 10.930 1.00 60.33 C ATOM 125 C GLU A 12 13.787 -7.581 11.759 1.00 33.21 C ATOM 126 O GLU A 12 14.682 -8.347 12.123 1.00 3.41 O ATOM 127 CB GLU A 12 12.847 -7.783 9.449 1.00 34.32 C ATOM 128 CG GLU A 12 11.652 -8.100 8.565 1.00 51.14 C ATOM 129 CD GLU A 12 11.942 -7.879 7.093 1.00 1.32 C ATOM 130 OE1 GLU A 12 11.855 -6.718 6.639 1.00 13.14 O ATOM 131 OE2 GLU A 12 12.254 -8.866 6.394 1.00 13.32 O ATOM 0 H GLU A 12 10.869 -6.952 10.665 1.00 60.24 H new ATOM 0 HA GLU A 12 12.535 -9.169 11.063 1.00 60.33 H new ATOM 0 HB2 GLU A 12 13.099 -6.728 9.341 1.00 34.32 H new ATOM 0 HB3 GLU A 12 13.708 -8.354 9.101 1.00 34.32 H new ATOM 0 HG2 GLU A 12 11.354 -9.137 8.721 1.00 51.14 H new ATOM 0 HG3 GLU A 12 10.809 -7.477 8.863 1.00 51.14 H new ATOM 138 N LEU A 13 13.780 -6.286 12.053 1.00 63.00 N ATOM 139 CA LEU A 13 14.846 -5.674 12.838 1.00 30.44 C ATOM 140 C LEU A 13 15.072 -6.438 14.139 1.00 24.21 C ATOM 141 O LEU A 13 16.184 -6.474 14.665 1.00 63.35 O ATOM 142 CB LEU A 13 14.507 -4.214 13.144 1.00 51.50 C ATOM 143 CG LEU A 13 15.666 -3.343 13.631 1.00 53.32 C ATOM 144 CD1 LEU A 13 16.642 -3.069 12.496 1.00 14.33 C ATOM 145 CD2 LEU A 13 15.145 -2.038 14.215 1.00 42.42 C ATOM 0 H LEU A 13 13.048 -5.639 11.760 1.00 63.00 H new ATOM 0 HA LEU A 13 15.764 -5.713 12.251 1.00 30.44 H new ATOM 0 HB2 LEU A 13 14.093 -3.762 12.243 1.00 51.50 H new ATOM 0 HB3 LEU A 13 13.722 -4.195 13.900 1.00 51.50 H new ATOM 0 HG LEU A 13 16.195 -3.883 14.416 1.00 53.32 H new ATOM 0 HD11 LEU A 13 17.460 -2.448 12.861 1.00 14.33 H new ATOM 0 HD12 LEU A 13 17.041 -4.012 12.124 1.00 14.33 H new ATOM 0 HD13 LEU A 13 16.125 -2.550 11.689 1.00 14.33 H new ATOM 0 HD21 LEU A 13 15.984 -1.431 14.556 1.00 42.42 H new ATOM 0 HD22 LEU A 13 14.590 -1.493 13.451 1.00 42.42 H new ATOM 0 HD23 LEU A 13 14.487 -2.253 15.057 1.00 42.42 H new ATOM 157 N ASP A 14 14.009 -7.050 14.652 1.00 53.24 N ATOM 158 CA ASP A 14 14.092 -7.817 15.889 1.00 1.20 C ATOM 159 C ASP A 14 15.059 -8.988 15.739 1.00 3.13 C ATOM 160 O ASP A 14 16.070 -9.067 16.439 1.00 4.20 O ATOM 161 CB ASP A 14 12.708 -8.330 16.290 1.00 53.13 C ATOM 162 CG ASP A 14 12.600 -8.603 17.776 1.00 14.14 C ATOM 163 OD1 ASP A 14 13.440 -8.080 18.539 1.00 12.01 O ATOM 164 OD2 ASP A 14 11.676 -9.341 18.178 1.00 0.14 O ATOM 0 H ASP A 14 13.081 -7.029 14.230 1.00 53.24 H new ATOM 0 HA ASP A 14 14.467 -7.158 16.672 1.00 1.20 H new ATOM 0 HB2 ASP A 14 11.955 -7.596 16.003 1.00 53.13 H new ATOM 0 HB3 ASP A 14 12.489 -9.244 15.739 1.00 53.13 H new ATOM 169 N LYS A 15 14.741 -9.897 14.824 1.00 64.21 N ATOM 170 CA LYS A 15 15.581 -11.064 14.581 1.00 54.12 C ATOM 171 C LYS A 15 16.987 -10.646 14.165 1.00 60.40 C ATOM 172 O LYS A 15 17.975 -11.241 14.597 1.00 11.25 O ATOM 173 CB LYS A 15 14.959 -11.948 13.497 1.00 32.11 C ATOM 174 CG LYS A 15 14.156 -13.113 14.050 1.00 72.33 C ATOM 175 CD LYS A 15 12.744 -13.133 13.489 1.00 25.32 C ATOM 176 CE LYS A 15 11.868 -14.139 14.221 1.00 51.34 C ATOM 177 NZ LYS A 15 12.006 -15.509 13.653 1.00 75.54 N ATOM 0 H LYS A 15 13.907 -9.848 14.238 1.00 64.21 H new ATOM 0 HA LYS A 15 15.650 -11.631 15.510 1.00 54.12 H new ATOM 0 HB2 LYS A 15 14.311 -11.337 12.869 1.00 32.11 H new ATOM 0 HB3 LYS A 15 15.751 -12.335 12.856 1.00 32.11 H new ATOM 0 HG2 LYS A 15 14.658 -14.050 13.808 1.00 72.33 H new ATOM 0 HG3 LYS A 15 14.116 -13.045 15.137 1.00 72.33 H new ATOM 0 HD2 LYS A 15 12.305 -12.139 13.571 1.00 25.32 H new ATOM 0 HD3 LYS A 15 12.776 -13.381 12.428 1.00 25.32 H new ATOM 0 HE2 LYS A 15 12.137 -14.155 15.277 1.00 51.34 H new ATOM 0 HE3 LYS A 15 10.826 -13.824 14.162 1.00 51.34 H new ATOM 0 HZ1 LYS A 15 11.394 -16.166 14.178 1.00 75.54 H new ATOM 0 HZ2 LYS A 15 11.725 -15.500 12.652 1.00 75.54 H new ATOM 0 HZ3 LYS A 15 12.995 -15.820 13.732 1.00 75.54 H new ATOM 191 N TRP A 16 17.071 -9.619 13.328 1.00 41.42 N ATOM 192 CA TRP A 16 18.358 -9.121 12.855 1.00 24.42 C ATOM 193 C TRP A 16 19.258 -8.741 14.027 1.00 4.22 C ATOM 194 O TRP A 16 20.376 -9.239 14.149 1.00 2.43 O ATOM 195 CB TRP A 16 18.155 -7.914 11.939 1.00 43.35 C ATOM 196 CG TRP A 16 19.440 -7.332 11.428 1.00 34.04 C ATOM 197 CD1 TRP A 16 20.088 -6.230 11.906 1.00 32.35 C ATOM 198 CD2 TRP A 16 20.229 -7.824 10.340 1.00 12.04 C ATOM 199 NE1 TRP A 16 21.232 -6.006 11.181 1.00 74.45 N ATOM 200 CE2 TRP A 16 21.343 -6.971 10.215 1.00 42.34 C ATOM 201 CE3 TRP A 16 20.105 -8.903 9.460 1.00 54.03 C ATOM 202 CZ2 TRP A 16 22.323 -7.164 9.246 1.00 51.42 C ATOM 203 CZ3 TRP A 16 21.078 -9.093 8.498 1.00 33.01 C ATOM 204 CH2 TRP A 16 22.177 -8.228 8.397 1.00 4.42 C ATOM 0 H TRP A 16 16.263 -9.114 12.962 1.00 41.42 H new ATOM 0 HA TRP A 16 18.844 -9.918 12.291 1.00 24.42 H new ATOM 0 HB2 TRP A 16 17.536 -8.210 11.092 1.00 43.35 H new ATOM 0 HB3 TRP A 16 17.606 -7.144 12.481 1.00 43.35 H new ATOM 0 HD1 TRP A 16 19.750 -5.623 12.733 1.00 32.35 H new ATOM 0 HE1 TRP A 16 21.892 -5.244 11.336 1.00 74.45 H new ATOM 0 HE3 TRP A 16 19.263 -9.576 9.531 1.00 54.03 H new ATOM 0 HZ2 TRP A 16 23.169 -6.498 9.167 1.00 51.42 H new ATOM 0 HZ3 TRP A 16 20.991 -9.922 7.812 1.00 33.01 H new ATOM 0 HH2 TRP A 16 22.922 -8.404 7.635 1.00 4.42 H new ATOM 215 N GLU A 17 18.761 -7.854 14.885 1.00 54.13 N ATOM 216 CA GLU A 17 19.522 -7.407 16.045 1.00 34.23 C ATOM 217 C GLU A 17 19.927 -8.592 16.919 1.00 31.30 C ATOM 218 O GLU A 17 20.905 -8.523 17.665 1.00 44.23 O ATOM 219 CB GLU A 17 18.703 -6.410 16.867 1.00 31.31 C ATOM 220 CG GLU A 17 18.588 -5.039 16.223 1.00 71.03 C ATOM 221 CD GLU A 17 18.085 -3.982 17.186 1.00 53.14 C ATOM 222 OE1 GLU A 17 17.761 -4.335 18.340 1.00 52.43 O ATOM 223 OE2 GLU A 17 18.016 -2.800 16.786 1.00 14.33 O ATOM 0 H GLU A 17 17.836 -7.432 14.798 1.00 54.13 H new ATOM 0 HA GLU A 17 20.426 -6.915 15.687 1.00 34.23 H new ATOM 0 HB2 GLU A 17 17.703 -6.815 17.021 1.00 31.31 H new ATOM 0 HB3 GLU A 17 19.159 -6.303 17.851 1.00 31.31 H new ATOM 0 HG2 GLU A 17 19.563 -4.740 15.838 1.00 71.03 H new ATOM 0 HG3 GLU A 17 17.913 -5.098 15.369 1.00 71.03 H new ATOM 230 N LYS A 18 19.168 -9.678 16.822 1.00 74.22 N ATOM 231 CA LYS A 18 19.447 -10.879 17.601 1.00 43.42 C ATOM 232 C LYS A 18 20.613 -11.659 17.001 1.00 25.20 C ATOM 233 O LYS A 18 21.557 -12.019 17.705 1.00 3.12 O ATOM 234 CB LYS A 18 18.204 -11.769 17.665 1.00 5.32 C ATOM 235 CG LYS A 18 17.768 -12.104 19.082 1.00 44.44 C ATOM 236 CD LYS A 18 16.800 -11.067 19.627 1.00 43.35 C ATOM 237 CE LYS A 18 17.267 -10.519 20.966 1.00 72.21 C ATOM 238 NZ LYS A 18 17.247 -11.562 22.030 1.00 44.33 N ATOM 0 H LYS A 18 18.354 -9.751 16.211 1.00 74.22 H new ATOM 0 HA LYS A 18 19.720 -10.572 18.611 1.00 43.42 H new ATOM 0 HB2 LYS A 18 17.383 -11.270 17.150 1.00 5.32 H new ATOM 0 HB3 LYS A 18 18.403 -12.695 17.126 1.00 5.32 H new ATOM 0 HG2 LYS A 18 17.296 -13.086 19.096 1.00 44.44 H new ATOM 0 HG3 LYS A 18 18.643 -12.162 19.729 1.00 44.44 H new ATOM 0 HD2 LYS A 18 16.701 -10.250 18.913 1.00 43.35 H new ATOM 0 HD3 LYS A 18 15.812 -11.514 19.740 1.00 43.35 H new ATOM 0 HE2 LYS A 18 18.278 -10.124 20.864 1.00 72.21 H new ATOM 0 HE3 LYS A 18 16.627 -9.687 21.261 1.00 72.21 H new ATOM 0 HZ1 LYS A 18 17.556 -11.145 22.931 1.00 44.33 H new ATOM 0 HZ2 LYS A 18 16.281 -11.934 22.134 1.00 44.33 H new ATOM 0 HZ3 LYS A 18 17.890 -12.337 21.769 1.00 44.33 H new ATOM 252 N ILE A 19 20.541 -11.913 15.699 1.00 72.41 N ATOM 253 CA ILE A 19 21.592 -12.647 15.007 1.00 51.25 C ATOM 254 C ILE A 19 22.964 -12.041 15.287 1.00 4.24 C ATOM 255 O ILE A 19 23.109 -10.820 15.366 1.00 54.03 O ATOM 256 CB ILE A 19 21.355 -12.669 13.485 1.00 45.03 C ATOM 257 CG1 ILE A 19 19.999 -13.303 13.167 1.00 73.33 C ATOM 258 CG2 ILE A 19 22.476 -13.422 12.784 1.00 12.04 C ATOM 259 CD1 ILE A 19 19.200 -12.536 12.136 1.00 34.34 C ATOM 0 H ILE A 19 19.766 -11.621 15.103 1.00 72.41 H new ATOM 0 HA ILE A 19 21.564 -13.668 15.387 1.00 51.25 H new ATOM 0 HB ILE A 19 21.350 -11.642 13.119 1.00 45.03 H new ATOM 0 HG12 ILE A 19 20.158 -14.320 12.809 1.00 73.33 H new ATOM 0 HG13 ILE A 19 19.417 -13.376 14.086 1.00 73.33 H new ATOM 0 HG21 ILE A 19 22.294 -13.428 11.709 1.00 12.04 H new ATOM 0 HG22 ILE A 19 23.427 -12.930 12.988 1.00 12.04 H new ATOM 0 HG23 ILE A 19 22.511 -14.447 13.152 1.00 12.04 H new ATOM 0 HD11 ILE A 19 18.251 -13.043 11.960 1.00 34.34 H new ATOM 0 HD12 ILE A 19 19.010 -11.526 12.500 1.00 34.34 H new ATOM 0 HD13 ILE A 19 19.762 -12.485 11.204 1.00 34.34 H new ATOM 271 N ARG A 20 23.965 -12.900 15.435 1.00 60.24 N ATOM 272 CA ARG A 20 25.325 -12.449 15.705 1.00 33.21 C ATOM 273 C ARG A 20 26.188 -12.539 14.451 1.00 45.51 C ATOM 274 O ARG A 20 25.905 -13.324 13.544 1.00 51.21 O ATOM 275 CB ARG A 20 25.949 -13.284 16.826 1.00 2.44 C ATOM 276 CG ARG A 20 25.601 -12.788 18.220 1.00 2.15 C ATOM 277 CD ARG A 20 25.763 -13.887 19.259 1.00 1.04 C ATOM 278 NE ARG A 20 24.590 -14.756 19.325 1.00 44.42 N ATOM 279 CZ ARG A 20 24.601 -15.965 19.873 1.00 12.45 C ATOM 280 NH1 ARG A 20 25.717 -16.447 20.401 1.00 22.10 N ATOM 281 NH2 ARG A 20 23.494 -16.695 19.894 1.00 12.33 N ATOM 0 H ARG A 20 23.861 -13.913 15.373 1.00 60.24 H new ATOM 0 HA ARG A 20 25.278 -11.406 16.019 1.00 33.21 H new ATOM 0 HB2 ARG A 20 25.619 -14.318 16.724 1.00 2.44 H new ATOM 0 HB3 ARG A 20 27.033 -13.282 16.709 1.00 2.44 H new ATOM 0 HG2 ARG A 20 26.242 -11.945 18.478 1.00 2.15 H new ATOM 0 HG3 ARG A 20 24.574 -12.423 18.232 1.00 2.15 H new ATOM 0 HD2 ARG A 20 26.643 -14.484 19.021 1.00 1.04 H new ATOM 0 HD3 ARG A 20 25.937 -13.438 20.237 1.00 1.04 H new ATOM 0 HE ARG A 20 23.715 -14.415 18.928 1.00 44.42 H new ATOM 0 HH11 ARG A 20 26.570 -15.889 20.387 1.00 22.10 H new ATOM 0 HH12 ARG A 20 25.722 -17.376 20.821 1.00 22.10 H new ATOM 0 HH21 ARG A 20 22.633 -16.328 19.489 1.00 12.33 H new ATOM 0 HH22 ARG A 20 23.504 -17.624 20.315 1.00 12.33 H new ATOM 295 N LEU A 21 27.241 -11.730 14.403 1.00 4.21 N ATOM 296 CA LEU A 21 28.145 -11.717 13.259 1.00 71.11 C ATOM 297 C LEU A 21 28.983 -12.990 13.213 1.00 71.34 C ATOM 298 O LEU A 21 29.440 -13.407 12.149 1.00 54.41 O ATOM 299 CB LEU A 21 29.059 -10.493 13.320 1.00 62.34 C ATOM 300 CG LEU A 21 28.360 -9.132 13.348 1.00 15.01 C ATOM 301 CD1 LEU A 21 29.224 -8.103 14.060 1.00 11.21 C ATOM 302 CD2 LEU A 21 28.033 -8.673 11.936 1.00 3.43 C ATOM 0 H LEU A 21 27.489 -11.074 15.144 1.00 4.21 H new ATOM 0 HA LEU A 21 27.543 -11.668 12.352 1.00 71.11 H new ATOM 0 HB2 LEU A 21 29.685 -10.576 14.209 1.00 62.34 H new ATOM 0 HB3 LEU A 21 29.725 -10.519 12.458 1.00 62.34 H new ATOM 0 HG LEU A 21 27.426 -9.235 13.900 1.00 15.01 H new ATOM 0 HD11 LEU A 21 28.711 -7.141 14.070 1.00 11.21 H new ATOM 0 HD12 LEU A 21 29.407 -8.428 15.084 1.00 11.21 H new ATOM 0 HD13 LEU A 21 30.175 -8.001 13.537 1.00 11.21 H new ATOM 0 HD21 LEU A 21 27.536 -7.704 11.974 1.00 3.43 H new ATOM 0 HD22 LEU A 21 28.954 -8.586 11.359 1.00 3.43 H new ATOM 0 HD23 LEU A 21 27.374 -9.400 11.461 1.00 3.43 H new ATOM 314 N ARG A 22 29.182 -13.604 14.375 1.00 2.22 N ATOM 315 CA ARG A 22 29.965 -14.830 14.467 1.00 33.41 C ATOM 316 C ARG A 22 29.396 -15.759 15.537 1.00 75.23 C ATOM 317 O ARG A 22 28.664 -15.339 16.433 1.00 52.12 O ATOM 318 CB ARG A 22 31.426 -14.505 14.784 1.00 53.14 C ATOM 319 CG ARG A 22 32.344 -14.588 13.575 1.00 2.24 C ATOM 320 CD ARG A 22 33.652 -13.853 13.817 1.00 71.32 C ATOM 321 NE ARG A 22 34.379 -14.393 14.963 1.00 10.31 N ATOM 322 CZ ARG A 22 35.033 -15.549 14.940 1.00 31.03 C ATOM 323 NH1 ARG A 22 35.051 -16.282 13.835 1.00 21.24 N ATOM 324 NH2 ARG A 22 35.671 -15.973 16.024 1.00 53.23 N ATOM 0 H ARG A 22 28.812 -13.272 15.266 1.00 2.22 H new ATOM 0 HA ARG A 22 29.914 -15.338 13.504 1.00 33.41 H new ATOM 0 HB2 ARG A 22 31.483 -13.501 15.205 1.00 53.14 H new ATOM 0 HB3 ARG A 22 31.785 -15.193 15.550 1.00 53.14 H new ATOM 0 HG2 ARG A 22 32.550 -15.633 13.344 1.00 2.24 H new ATOM 0 HG3 ARG A 22 31.842 -14.163 12.706 1.00 2.24 H new ATOM 0 HD2 ARG A 22 34.277 -13.922 12.926 1.00 71.32 H new ATOM 0 HD3 ARG A 22 33.448 -12.795 13.983 1.00 71.32 H new ATOM 0 HE ARG A 22 34.385 -13.853 15.828 1.00 10.31 H new ATOM 0 HH11 ARG A 22 34.562 -15.958 13.000 1.00 21.24 H new ATOM 0 HH12 ARG A 22 35.554 -17.169 13.820 1.00 21.24 H new ATOM 0 HH21 ARG A 22 35.659 -15.411 16.875 1.00 53.23 H new ATOM 0 HH22 ARG A 22 36.173 -16.861 16.006 1.00 53.23 H new ATOM 338 N PRO A 23 29.740 -17.052 15.442 1.00 55.21 N ATOM 339 CA PRO A 23 29.275 -18.066 16.393 1.00 54.52 C ATOM 340 C PRO A 23 29.903 -17.901 17.771 1.00 64.41 C ATOM 341 O PRO A 23 29.244 -18.095 18.792 1.00 40.22 O ATOM 342 CB PRO A 23 29.727 -19.383 15.754 1.00 32.24 C ATOM 343 CG PRO A 23 30.891 -19.012 14.902 1.00 5.25 C ATOM 344 CD PRO A 23 30.609 -17.623 14.399 1.00 32.43 C ATOM 0 HA PRO A 23 28.200 -18.003 16.562 1.00 54.52 H new ATOM 0 HB2 PRO A 23 30.008 -20.114 16.512 1.00 32.24 H new ATOM 0 HB3 PRO A 23 28.929 -19.829 15.161 1.00 32.24 H new ATOM 0 HG2 PRO A 23 31.818 -19.039 15.474 1.00 5.25 H new ATOM 0 HG3 PRO A 23 31.007 -19.711 14.074 1.00 5.25 H new ATOM 0 HD2 PRO A 23 31.526 -17.045 14.279 1.00 32.43 H new ATOM 0 HD3 PRO A 23 30.114 -17.640 13.428 1.00 32.43 H new ATOM 352 N GLY A 24 31.183 -17.537 17.794 1.00 32.14 N ATOM 353 CA GLY A 24 31.878 -17.351 19.055 1.00 45.42 C ATOM 354 C GLY A 24 32.259 -15.904 19.298 1.00 2.43 C ATOM 355 O GLY A 24 33.434 -15.584 19.470 1.00 12.24 O ATOM 0 H GLY A 24 31.750 -17.368 16.963 1.00 32.14 H new ATOM 0 HA2 GLY A 24 31.244 -17.699 19.871 1.00 45.42 H new ATOM 0 HA3 GLY A 24 32.777 -17.967 19.065 1.00 45.42 H new ATOM 359 N GLY A 25 31.260 -15.025 19.310 1.00 53.20 N ATOM 360 CA GLY A 25 31.517 -13.614 19.533 1.00 40.45 C ATOM 361 C GLY A 25 30.496 -12.977 20.454 1.00 1.13 C ATOM 362 O GLY A 25 29.580 -13.646 20.936 1.00 63.23 O ATOM 0 H GLY A 25 30.279 -15.265 19.169 1.00 53.20 H new ATOM 0 HA2 GLY A 25 32.513 -13.492 19.960 1.00 40.45 H new ATOM 0 HA3 GLY A 25 31.514 -13.092 18.576 1.00 40.45 H new ATOM 366 N LYS A 26 30.652 -11.681 20.702 1.00 14.31 N ATOM 367 CA LYS A 26 29.736 -10.953 21.573 1.00 40.45 C ATOM 368 C LYS A 26 29.257 -9.669 20.905 1.00 44.03 C ATOM 369 O LYS A 26 28.892 -8.704 21.578 1.00 52.24 O ATOM 370 CB LYS A 26 30.418 -10.624 22.903 1.00 40.52 C ATOM 371 CG LYS A 26 29.531 -10.854 24.114 1.00 1.44 C ATOM 372 CD LYS A 26 30.344 -11.250 25.334 1.00 60.31 C ATOM 373 CE LYS A 26 30.134 -12.713 25.694 1.00 41.04 C ATOM 374 NZ LYS A 26 31.049 -13.609 24.933 1.00 64.03 N ATOM 0 H LYS A 26 31.404 -11.113 20.312 1.00 14.31 H new ATOM 0 HA LYS A 26 28.871 -11.589 21.762 1.00 40.45 H new ATOM 0 HB2 LYS A 26 31.317 -11.232 23.001 1.00 40.52 H new ATOM 0 HB3 LYS A 26 30.738 -9.582 22.890 1.00 40.52 H new ATOM 0 HG2 LYS A 26 28.967 -9.947 24.330 1.00 1.44 H new ATOM 0 HG3 LYS A 26 28.804 -11.635 23.891 1.00 1.44 H new ATOM 0 HD2 LYS A 26 31.402 -11.070 25.142 1.00 60.31 H new ATOM 0 HD3 LYS A 26 30.062 -10.622 26.179 1.00 60.31 H new ATOM 0 HE2 LYS A 26 30.297 -12.851 26.763 1.00 41.04 H new ATOM 0 HE3 LYS A 26 29.100 -12.992 25.490 1.00 41.04 H new ATOM 0 HZ1 LYS A 26 30.874 -14.597 25.207 1.00 64.03 H new ATOM 0 HZ2 LYS A 26 30.876 -13.497 23.914 1.00 64.03 H new ATOM 0 HZ3 LYS A 26 32.036 -13.360 25.147 1.00 64.03 H new ATOM 388 N LYS A 27 29.258 -9.662 19.575 1.00 62.31 N ATOM 389 CA LYS A 27 28.821 -8.497 18.815 1.00 23.35 C ATOM 390 C LYS A 27 27.650 -8.851 17.903 1.00 75.11 C ATOM 391 O LYS A 27 27.844 -9.362 16.801 1.00 44.33 O ATOM 392 CB LYS A 27 29.979 -7.941 17.984 1.00 43.41 C ATOM 393 CG LYS A 27 29.813 -6.478 17.612 1.00 64.43 C ATOM 394 CD LYS A 27 30.474 -6.161 16.281 1.00 14.53 C ATOM 395 CE LYS A 27 31.568 -5.117 16.436 1.00 61.33 C ATOM 396 NZ LYS A 27 31.723 -4.290 15.207 1.00 23.32 N ATOM 0 H LYS A 27 29.557 -10.451 19.002 1.00 62.31 H new ATOM 0 HA LYS A 27 28.491 -7.736 19.522 1.00 23.35 H new ATOM 0 HB2 LYS A 27 30.907 -8.062 18.543 1.00 43.41 H new ATOM 0 HB3 LYS A 27 30.077 -8.530 17.072 1.00 43.41 H new ATOM 0 HG2 LYS A 27 28.752 -6.233 17.559 1.00 64.43 H new ATOM 0 HG3 LYS A 27 30.246 -5.852 18.392 1.00 64.43 H new ATOM 0 HD2 LYS A 27 30.897 -7.072 15.858 1.00 14.53 H new ATOM 0 HD3 LYS A 27 29.723 -5.801 15.578 1.00 14.53 H new ATOM 0 HE2 LYS A 27 31.336 -4.470 17.282 1.00 61.33 H new ATOM 0 HE3 LYS A 27 32.513 -5.611 16.663 1.00 61.33 H new ATOM 0 HZ1 LYS A 27 32.478 -3.590 15.353 1.00 23.32 H new ATOM 0 HZ2 LYS A 27 31.970 -4.904 14.404 1.00 23.32 H new ATOM 0 HZ3 LYS A 27 30.829 -3.798 15.005 1.00 23.32 H new ATOM 410 N GLN A 28 26.437 -8.575 18.371 1.00 51.42 N ATOM 411 CA GLN A 28 25.236 -8.864 17.596 1.00 44.44 C ATOM 412 C GLN A 28 25.205 -8.041 16.312 1.00 23.41 C ATOM 413 O GLN A 28 26.104 -7.238 16.055 1.00 31.52 O ATOM 414 CB GLN A 28 23.986 -8.580 18.429 1.00 3.32 C ATOM 415 CG GLN A 28 24.060 -9.127 19.844 1.00 11.45 C ATOM 416 CD GLN A 28 24.276 -8.042 20.880 1.00 12.33 C ATOM 417 OE1 GLN A 28 23.394 -7.218 21.126 1.00 53.42 O ATOM 418 NE2 GLN A 28 25.454 -8.035 21.494 1.00 3.14 N ATOM 0 H GLN A 28 26.260 -8.152 19.282 1.00 51.42 H new ATOM 0 HA GLN A 28 25.252 -9.920 17.328 1.00 44.44 H new ATOM 0 HB2 GLN A 28 23.826 -7.503 18.473 1.00 3.32 H new ATOM 0 HB3 GLN A 28 23.120 -9.011 17.927 1.00 3.32 H new ATOM 0 HG2 GLN A 28 23.138 -9.662 20.071 1.00 11.45 H new ATOM 0 HG3 GLN A 28 24.872 -9.851 19.907 1.00 11.45 H new ATOM 0 HE21 GLN A 28 26.156 -8.737 21.259 1.00 3.14 H new ATOM 0 HE22 GLN A 28 25.657 -7.328 22.201 1.00 3.14 H new ATOM 427 N TYR A 29 24.167 -8.244 15.510 1.00 40.11 N ATOM 428 CA TYR A 29 24.021 -7.522 14.251 1.00 31.14 C ATOM 429 C TYR A 29 23.340 -6.174 14.473 1.00 54.23 C ATOM 430 O TYR A 29 22.509 -6.023 15.368 1.00 14.44 O ATOM 431 CB TYR A 29 23.215 -8.355 13.252 1.00 24.43 C ATOM 432 CG TYR A 29 24.070 -9.079 12.239 1.00 53.33 C ATOM 433 CD1 TYR A 29 24.586 -8.412 11.133 1.00 32.53 C ATOM 434 CD2 TYR A 29 24.363 -10.429 12.384 1.00 11.05 C ATOM 435 CE1 TYR A 29 25.368 -9.070 10.204 1.00 10.32 C ATOM 436 CE2 TYR A 29 25.145 -11.094 11.460 1.00 53.24 C ATOM 437 CZ TYR A 29 25.645 -10.411 10.372 1.00 43.43 C ATOM 438 OH TYR A 29 26.424 -11.070 9.448 1.00 24.32 O ATOM 0 H TYR A 29 23.414 -8.902 15.708 1.00 40.11 H new ATOM 0 HA TYR A 29 25.017 -7.344 13.845 1.00 31.14 H new ATOM 0 HB2 TYR A 29 22.618 -9.085 13.799 1.00 24.43 H new ATOM 0 HB3 TYR A 29 22.518 -7.702 12.726 1.00 24.43 H new ATOM 0 HD1 TYR A 29 24.372 -7.362 10.998 1.00 32.53 H new ATOM 0 HD2 TYR A 29 23.972 -10.968 13.234 1.00 11.05 H new ATOM 0 HE1 TYR A 29 25.761 -8.537 9.350 1.00 10.32 H new ATOM 0 HE2 TYR A 29 25.364 -12.144 11.589 1.00 53.24 H new ATOM 0 HH TYR A 29 26.736 -11.918 9.828 1.00 24.32 H new ATOM 448 N LYS A 30 23.700 -5.196 13.649 1.00 72.44 N ATOM 449 CA LYS A 30 23.126 -3.859 13.750 1.00 34.25 C ATOM 450 C LYS A 30 22.945 -3.238 12.368 1.00 15.03 C ATOM 451 O LYS A 30 23.510 -3.716 11.384 1.00 52.42 O ATOM 452 CB LYS A 30 24.017 -2.963 14.611 1.00 62.45 C ATOM 453 CG LYS A 30 23.463 -2.709 16.002 1.00 45.10 C ATOM 454 CD LYS A 30 24.576 -2.511 17.018 1.00 1.45 C ATOM 455 CE LYS A 30 25.195 -1.126 16.904 1.00 14.44 C ATOM 456 NZ LYS A 30 24.577 -0.162 17.857 1.00 61.33 N ATOM 0 H LYS A 30 24.387 -5.304 12.903 1.00 72.44 H new ATOM 0 HA LYS A 30 22.147 -3.946 14.220 1.00 34.25 H new ATOM 0 HB2 LYS A 30 25.002 -3.422 14.700 1.00 62.45 H new ATOM 0 HB3 LYS A 30 24.155 -2.008 14.104 1.00 62.45 H new ATOM 0 HG2 LYS A 30 22.824 -1.826 15.984 1.00 45.10 H new ATOM 0 HG3 LYS A 30 22.838 -3.549 16.305 1.00 45.10 H new ATOM 0 HD2 LYS A 30 24.181 -2.652 18.024 1.00 1.45 H new ATOM 0 HD3 LYS A 30 25.346 -3.268 16.868 1.00 1.45 H new ATOM 0 HE2 LYS A 30 26.266 -1.190 17.096 1.00 14.44 H new ATOM 0 HE3 LYS A 30 25.075 -0.757 15.885 1.00 14.44 H new ATOM 0 HZ1 LYS A 30 25.026 0.770 17.748 1.00 61.33 H new ATOM 0 HZ2 LYS A 30 23.559 -0.081 17.658 1.00 61.33 H new ATOM 0 HZ3 LYS A 30 24.714 -0.501 18.831 1.00 61.33 H new ATOM 470 N LEU A 31 22.154 -2.173 12.303 1.00 70.34 N ATOM 471 CA LEU A 31 21.901 -1.485 11.042 1.00 12.20 C ATOM 472 C LEU A 31 23.208 -1.136 10.339 1.00 50.10 C ATOM 473 O LEU A 31 23.275 -1.101 9.109 1.00 74.42 O ATOM 474 CB LEU A 31 21.085 -0.214 11.286 1.00 34.20 C ATOM 475 CG LEU A 31 19.784 -0.089 10.494 1.00 2.14 C ATOM 476 CD1 LEU A 31 18.747 -1.073 11.013 1.00 12.14 C ATOM 477 CD2 LEU A 31 19.252 1.335 10.564 1.00 2.31 C ATOM 0 H LEU A 31 21.677 -1.767 13.108 1.00 70.34 H new ATOM 0 HA LEU A 31 21.333 -2.157 10.399 1.00 12.20 H new ATOM 0 HB2 LEU A 31 20.847 -0.158 12.348 1.00 34.20 H new ATOM 0 HB3 LEU A 31 21.712 0.647 11.054 1.00 34.20 H new ATOM 0 HG LEU A 31 19.992 -0.327 9.451 1.00 2.14 H new ATOM 0 HD11 LEU A 31 17.827 -0.970 10.437 1.00 12.14 H new ATOM 0 HD12 LEU A 31 19.127 -2.090 10.911 1.00 12.14 H new ATOM 0 HD13 LEU A 31 18.543 -0.866 12.063 1.00 12.14 H new ATOM 0 HD21 LEU A 31 18.325 1.406 9.995 1.00 2.31 H new ATOM 0 HD22 LEU A 31 19.060 1.601 11.603 1.00 2.31 H new ATOM 0 HD23 LEU A 31 19.989 2.020 10.144 1.00 2.31 H new ATOM 489 N LYS A 32 24.247 -0.881 11.126 1.00 45.04 N ATOM 490 CA LYS A 32 25.555 -0.537 10.580 1.00 30.31 C ATOM 491 C LYS A 32 25.998 -1.565 9.544 1.00 61.14 C ATOM 492 O LYS A 32 26.601 -1.217 8.528 1.00 62.13 O ATOM 493 CB LYS A 32 26.592 -0.450 11.703 1.00 11.41 C ATOM 494 CG LYS A 32 26.621 0.899 12.399 1.00 23.43 C ATOM 495 CD LYS A 32 25.888 0.855 13.730 1.00 35.23 C ATOM 496 CE LYS A 32 25.284 2.206 14.080 1.00 41.14 C ATOM 497 NZ LYS A 32 23.868 2.084 14.521 1.00 5.24 N ATOM 0 H LYS A 32 24.209 -0.906 12.145 1.00 45.04 H new ATOM 0 HA LYS A 32 25.474 0.434 10.092 1.00 30.31 H new ATOM 0 HB2 LYS A 32 26.383 -1.226 12.440 1.00 11.41 H new ATOM 0 HB3 LYS A 32 27.580 -0.659 11.292 1.00 11.41 H new ATOM 0 HG2 LYS A 32 27.655 1.203 12.562 1.00 23.43 H new ATOM 0 HG3 LYS A 32 26.165 1.651 11.756 1.00 23.43 H new ATOM 0 HD2 LYS A 32 25.100 0.103 13.688 1.00 35.23 H new ATOM 0 HD3 LYS A 32 26.578 0.549 14.516 1.00 35.23 H new ATOM 0 HE2 LYS A 32 25.872 2.672 14.871 1.00 41.14 H new ATOM 0 HE3 LYS A 32 25.339 2.864 13.212 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 23.493 3.027 14.750 1.00 5.24 H new ATOM 0 HZ2 LYS A 32 23.302 1.663 13.757 1.00 5.24 H new ATOM 0 HZ3 LYS A 32 23.818 1.477 15.364 1.00 5.24 H new ATOM 511 N HIS A 33 25.696 -2.832 9.806 1.00 1.34 N ATOM 512 CA HIS A 33 26.060 -3.911 8.893 1.00 62.42 C ATOM 513 C HIS A 33 25.146 -3.921 7.672 1.00 60.11 C ATOM 514 O HIS A 33 25.651 -4.227 6.591 1.00 25.15 O ATOM 515 CB HIS A 33 25.988 -5.260 9.611 1.00 53.35 C ATOM 516 CG HIS A 33 26.645 -5.259 10.957 1.00 2.55 C ATOM 517 ND1 HIS A 33 26.092 -5.868 12.064 1.00 52.32 N ATOM 518 CD2 HIS A 33 27.813 -4.718 11.371 1.00 25.41 C ATOM 519 CE1 HIS A 33 26.893 -5.702 13.100 1.00 61.32 C ATOM 520 NE2 HIS A 33 27.945 -5.007 12.707 1.00 51.35 N ATOM 0 H HIS A 33 25.200 -3.138 10.643 1.00 1.34 H new ATOM 0 HA HIS A 33 27.083 -3.741 8.557 1.00 62.42 H new ATOM 0 HB2 HIS A 33 24.942 -5.545 9.727 1.00 53.35 H new ATOM 0 HB3 HIS A 33 26.458 -6.020 8.987 1.00 53.35 H new ATOM 0 HD2 HIS A 33 28.512 -4.162 10.764 1.00 25.41 H new ATOM 0 HE1 HIS A 33 26.718 -6.072 14.099 1.00 61.32 H new ATOM 0 HE2 HIS A 33 28.728 -4.730 13.299 1.00 51.35 H new ATOM 528 N ILE A 34 23.863 -3.607 7.808 1.00 34.45 N ATOM 529 CA ILE A 34 22.952 -3.602 6.670 1.00 74.11 C ATOM 530 C ILE A 34 23.334 -2.520 5.666 1.00 11.14 C ATOM 531 O ILE A 34 23.223 -2.716 4.456 1.00 41.15 O ATOM 532 CB ILE A 34 21.494 -3.383 7.116 1.00 62.51 C ATOM 533 CG1 ILE A 34 21.116 -4.384 8.210 1.00 42.12 C ATOM 534 CG2 ILE A 34 20.552 -3.507 5.928 1.00 64.14 C ATOM 535 CD1 ILE A 34 19.756 -4.126 8.820 1.00 23.14 C ATOM 0 H ILE A 34 23.430 -3.352 8.696 1.00 34.45 H new ATOM 0 HA ILE A 34 23.034 -4.580 6.195 1.00 74.11 H new ATOM 0 HB ILE A 34 21.402 -2.376 7.524 1.00 62.51 H new ATOM 0 HG12 ILE A 34 21.133 -5.391 7.792 1.00 42.12 H new ATOM 0 HG13 ILE A 34 21.870 -4.353 8.996 1.00 42.12 H new ATOM 0 HG21 ILE A 34 19.526 -3.350 6.260 1.00 64.14 H new ATOM 0 HG22 ILE A 34 20.810 -2.758 5.179 1.00 64.14 H new ATOM 0 HG23 ILE A 34 20.644 -4.502 5.493 1.00 64.14 H new ATOM 0 HD11 ILE A 34 19.554 -4.873 9.588 1.00 23.14 H new ATOM 0 HD12 ILE A 34 19.741 -3.132 9.268 1.00 23.14 H new ATOM 0 HD13 ILE A 34 18.992 -4.186 8.045 1.00 23.14 H new ATOM 547 N VAL A 35 23.785 -1.380 6.177 1.00 64.12 N ATOM 548 CA VAL A 35 24.187 -0.266 5.324 1.00 14.02 C ATOM 549 C VAL A 35 25.607 -0.457 4.804 1.00 12.44 C ATOM 550 O VAL A 35 25.909 -0.121 3.659 1.00 50.21 O ATOM 551 CB VAL A 35 24.103 1.075 6.077 1.00 54.23 C ATOM 552 CG1 VAL A 35 24.559 2.218 5.183 1.00 72.05 C ATOM 553 CG2 VAL A 35 22.689 1.315 6.583 1.00 54.14 C ATOM 0 H VAL A 35 23.882 -1.202 7.177 1.00 64.12 H new ATOM 0 HA VAL A 35 23.495 -0.245 4.482 1.00 14.02 H new ATOM 0 HB VAL A 35 24.769 1.030 6.938 1.00 54.23 H new ATOM 0 HG11 VAL A 35 24.493 3.158 5.732 1.00 72.05 H new ATOM 0 HG12 VAL A 35 25.591 2.050 4.875 1.00 72.05 H new ATOM 0 HG13 VAL A 35 23.920 2.267 4.301 1.00 72.05 H new ATOM 0 HG21 VAL A 35 22.649 2.267 7.112 1.00 54.14 H new ATOM 0 HG22 VAL A 35 22.000 1.340 5.739 1.00 54.14 H new ATOM 0 HG23 VAL A 35 22.404 0.511 7.261 1.00 54.14 H new ATOM 563 N TRP A 36 26.474 -0.999 5.652 1.00 13.41 N ATOM 564 CA TRP A 36 27.863 -1.236 5.276 1.00 62.11 C ATOM 565 C TRP A 36 27.949 -2.121 4.037 1.00 61.53 C ATOM 566 O TRP A 36 28.896 -2.021 3.258 1.00 53.44 O ATOM 567 CB TRP A 36 28.622 -1.885 6.435 1.00 41.15 C ATOM 568 CG TRP A 36 30.011 -2.315 6.069 1.00 30.04 C ATOM 569 CD1 TRP A 36 31.172 -1.648 6.336 1.00 54.00 C ATOM 570 CD2 TRP A 36 30.381 -3.507 5.366 1.00 25.45 C ATOM 571 NE1 TRP A 36 32.244 -2.355 5.843 1.00 5.32 N ATOM 572 CE2 TRP A 36 31.785 -3.497 5.244 1.00 35.24 C ATOM 573 CE3 TRP A 36 29.665 -4.580 4.832 1.00 41.33 C ATOM 574 CZ2 TRP A 36 32.482 -4.522 4.608 1.00 43.13 C ATOM 575 CZ3 TRP A 36 30.358 -5.595 4.200 1.00 22.12 C ATOM 576 CH2 TRP A 36 31.755 -5.560 4.093 1.00 13.41 C ATOM 0 H TRP A 36 26.240 -1.282 6.603 1.00 13.41 H new ATOM 0 HA TRP A 36 28.320 -0.274 5.044 1.00 62.11 H new ATOM 0 HB2 TRP A 36 28.674 -1.181 7.265 1.00 41.15 H new ATOM 0 HB3 TRP A 36 28.062 -2.751 6.787 1.00 41.15 H new ATOM 0 HD1 TRP A 36 31.239 -0.705 6.857 1.00 54.00 H new ATOM 0 HE1 TRP A 36 33.222 -2.074 5.912 1.00 5.32 H new ATOM 0 HE3 TRP A 36 28.589 -4.616 4.911 1.00 41.33 H new ATOM 0 HZ2 TRP A 36 33.558 -4.498 4.525 1.00 43.13 H new ATOM 0 HZ3 TRP A 36 29.814 -6.429 3.782 1.00 22.12 H new ATOM 0 HH2 TRP A 36 32.268 -6.369 3.594 1.00 13.41 H new ATOM 587 N ALA A 37 26.956 -2.985 3.862 1.00 21.50 N ATOM 588 CA ALA A 37 26.919 -3.885 2.717 1.00 53.11 C ATOM 589 C ALA A 37 26.242 -3.225 1.521 1.00 40.53 C ATOM 590 O ALA A 37 26.564 -3.522 0.371 1.00 62.14 O ATOM 591 CB ALA A 37 26.204 -5.178 3.083 1.00 60.15 C ATOM 0 H ALA A 37 26.165 -3.081 4.499 1.00 21.50 H new ATOM 0 HA ALA A 37 27.946 -4.118 2.437 1.00 53.11 H new ATOM 0 HB1 ALA A 37 26.184 -5.840 2.218 1.00 60.15 H new ATOM 0 HB2 ALA A 37 26.732 -5.667 3.902 1.00 60.15 H new ATOM 0 HB3 ALA A 37 25.183 -4.954 3.392 1.00 60.15 H new ATOM 597 N SER A 38 25.300 -2.329 1.800 1.00 61.12 N ATOM 598 CA SER A 38 24.574 -1.629 0.747 1.00 52.22 C ATOM 599 C SER A 38 25.498 -0.684 -0.014 1.00 43.24 C ATOM 600 O SER A 38 25.472 -0.630 -1.244 1.00 61.34 O ATOM 601 CB SER A 38 23.402 -0.847 1.340 1.00 1.05 C ATOM 602 OG SER A 38 23.691 0.539 1.398 1.00 22.30 O ATOM 0 H SER A 38 25.022 -2.071 2.747 1.00 61.12 H new ATOM 0 HA SER A 38 24.189 -2.373 0.049 1.00 52.22 H new ATOM 0 HB2 SER A 38 22.509 -1.011 0.737 1.00 1.05 H new ATOM 0 HB3 SER A 38 23.182 -1.218 2.341 1.00 1.05 H new ATOM 0 HG SER A 38 22.925 1.017 1.779 1.00 22.30 H new ATOM 608 N ARG A 39 26.314 0.059 0.726 1.00 2.31 N ATOM 609 CA ARG A 39 27.246 1.004 0.121 1.00 32.10 C ATOM 610 C ARG A 39 28.271 0.278 -0.745 1.00 1.32 C ATOM 611 O ARG A 39 28.820 0.852 -1.684 1.00 51.14 O ATOM 612 CB ARG A 39 27.961 1.812 1.206 1.00 2.33 C ATOM 613 CG ARG A 39 27.577 3.283 1.222 1.00 71.02 C ATOM 614 CD ARG A 39 26.238 3.501 1.910 1.00 63.34 C ATOM 615 NE ARG A 39 25.936 4.921 2.078 1.00 11.43 N ATOM 616 CZ ARG A 39 24.736 5.380 2.419 1.00 41.25 C ATOM 617 NH1 ARG A 39 23.735 4.538 2.627 1.00 2.11 N ATOM 618 NH2 ARG A 39 24.539 6.685 2.552 1.00 24.45 N ATOM 0 H ARG A 39 26.349 0.025 1.745 1.00 2.31 H new ATOM 0 HA ARG A 39 26.676 1.683 -0.513 1.00 32.10 H new ATOM 0 HB2 ARG A 39 27.736 1.376 2.179 1.00 2.33 H new ATOM 0 HB3 ARG A 39 29.038 1.728 1.060 1.00 2.33 H new ATOM 0 HG2 ARG A 39 28.349 3.856 1.735 1.00 71.02 H new ATOM 0 HG3 ARG A 39 27.528 3.659 0.200 1.00 71.02 H new ATOM 0 HD2 ARG A 39 25.448 3.029 1.325 1.00 63.34 H new ATOM 0 HD3 ARG A 39 26.247 3.014 2.885 1.00 63.34 H new ATOM 0 HE ARG A 39 26.686 5.596 1.926 1.00 11.43 H new ATOM 0 HH11 ARG A 39 23.884 3.534 2.526 1.00 2.11 H new ATOM 0 HH12 ARG A 39 22.815 4.894 2.889 1.00 2.11 H new ATOM 0 HH21 ARG A 39 25.308 7.336 2.393 1.00 24.45 H new ATOM 0 HH22 ARG A 39 23.618 7.038 2.814 1.00 24.45 H new ATOM 632 N GLU A 40 28.521 -0.987 -0.423 1.00 1.13 N ATOM 633 CA GLU A 40 29.480 -1.790 -1.172 1.00 74.33 C ATOM 634 C GLU A 40 28.833 -2.391 -2.416 1.00 11.11 C ATOM 635 O GLU A 40 29.500 -2.631 -3.423 1.00 63.22 O ATOM 636 CB GLU A 40 30.046 -2.904 -0.289 1.00 32.33 C ATOM 637 CG GLU A 40 31.443 -3.349 -0.689 1.00 0.55 C ATOM 638 CD GLU A 40 32.515 -2.807 0.236 1.00 44.13 C ATOM 639 OE1 GLU A 40 32.503 -1.588 0.506 1.00 25.40 O ATOM 640 OE2 GLU A 40 33.366 -3.601 0.688 1.00 22.21 O ATOM 0 H GLU A 40 28.073 -1.478 0.351 1.00 1.13 H new ATOM 0 HA GLU A 40 30.294 -1.137 -1.487 1.00 74.33 H new ATOM 0 HB2 GLU A 40 30.066 -2.561 0.746 1.00 32.33 H new ATOM 0 HB3 GLU A 40 29.376 -3.763 -0.328 1.00 32.33 H new ATOM 0 HG2 GLU A 40 31.487 -4.438 -0.691 1.00 0.55 H new ATOM 0 HG3 GLU A 40 31.647 -3.020 -1.708 1.00 0.55 H new ATOM 647 N LEU A 41 27.530 -2.633 -2.338 1.00 11.31 N ATOM 648 CA LEU A 41 26.790 -3.207 -3.458 1.00 21.32 C ATOM 649 C LEU A 41 26.775 -2.252 -4.647 1.00 34.14 C ATOM 650 O LEU A 41 27.061 -2.648 -5.776 1.00 74.12 O ATOM 651 CB LEU A 41 25.358 -3.535 -3.033 1.00 14.40 C ATOM 652 CG LEU A 41 25.098 -4.981 -2.608 1.00 23.22 C ATOM 653 CD1 LEU A 41 23.652 -5.156 -2.167 1.00 64.03 C ATOM 654 CD2 LEU A 41 25.432 -5.939 -3.741 1.00 30.34 C ATOM 0 H LEU A 41 26.963 -2.441 -1.512 1.00 11.31 H new ATOM 0 HA LEU A 41 27.292 -4.126 -3.761 1.00 21.32 H new ATOM 0 HB2 LEU A 41 25.087 -2.880 -2.205 1.00 14.40 H new ATOM 0 HB3 LEU A 41 24.691 -3.295 -3.861 1.00 14.40 H new ATOM 0 HG LEU A 41 25.745 -5.212 -1.762 1.00 23.22 H new ATOM 0 HD11 LEU A 41 23.485 -6.191 -1.868 1.00 64.03 H new ATOM 0 HD12 LEU A 41 23.447 -4.497 -1.323 1.00 64.03 H new ATOM 0 HD13 LEU A 41 22.987 -4.905 -2.993 1.00 64.03 H new ATOM 0 HD21 LEU A 41 25.241 -6.963 -3.420 1.00 30.34 H new ATOM 0 HD22 LEU A 41 24.812 -5.708 -4.607 1.00 30.34 H new ATOM 0 HD23 LEU A 41 26.483 -5.833 -4.009 1.00 30.34 H new ATOM 666 N GLU A 42 26.440 -0.993 -4.384 1.00 54.42 N ATOM 667 CA GLU A 42 26.389 0.018 -5.433 1.00 41.22 C ATOM 668 C GLU A 42 27.723 0.109 -6.167 1.00 73.12 C ATOM 669 O GLU A 42 27.780 0.516 -7.328 1.00 72.01 O ATOM 670 CB GLU A 42 26.026 1.382 -4.841 1.00 71.00 C ATOM 671 CG GLU A 42 24.757 1.981 -5.423 1.00 50.35 C ATOM 672 CD GLU A 42 25.009 3.286 -6.152 1.00 42.40 C ATOM 673 OE1 GLU A 42 25.317 4.292 -5.480 1.00 42.22 O ATOM 674 OE2 GLU A 42 24.899 3.301 -7.396 1.00 40.20 O ATOM 0 H GLU A 42 26.200 -0.649 -3.454 1.00 54.42 H new ATOM 0 HA GLU A 42 25.620 -0.276 -6.148 1.00 41.22 H new ATOM 0 HB2 GLU A 42 25.908 1.280 -3.762 1.00 71.00 H new ATOM 0 HB3 GLU A 42 26.853 2.072 -5.007 1.00 71.00 H new ATOM 0 HG2 GLU A 42 24.305 1.266 -6.111 1.00 50.35 H new ATOM 0 HG3 GLU A 42 24.039 2.150 -4.621 1.00 50.35 H new ATOM 681 N ARG A 43 28.796 -0.273 -5.482 1.00 72.53 N ATOM 682 CA ARG A 43 30.131 -0.234 -6.066 1.00 55.12 C ATOM 683 C ARG A 43 30.314 -1.360 -7.079 1.00 11.52 C ATOM 684 O ARG A 43 31.120 -1.253 -8.004 1.00 40.43 O ATOM 685 CB ARG A 43 31.194 -0.341 -4.971 1.00 43.44 C ATOM 686 CG ARG A 43 32.439 0.487 -5.249 1.00 31.12 C ATOM 687 CD ARG A 43 33.648 -0.061 -4.507 1.00 63.13 C ATOM 688 NE ARG A 43 34.758 0.888 -4.494 1.00 41.21 N ATOM 689 CZ ARG A 43 35.530 1.130 -5.549 1.00 31.24 C ATOM 690 NH1 ARG A 43 35.313 0.496 -6.692 1.00 64.24 N ATOM 691 NH2 ARG A 43 36.521 2.008 -5.459 1.00 61.02 N ATOM 0 H ARG A 43 28.766 -0.613 -4.521 1.00 72.53 H new ATOM 0 HA ARG A 43 30.246 0.719 -6.582 1.00 55.12 H new ATOM 0 HB2 ARG A 43 30.760 -0.023 -4.023 1.00 43.44 H new ATOM 0 HB3 ARG A 43 31.481 -1.386 -4.856 1.00 43.44 H new ATOM 0 HG2 ARG A 43 32.641 0.495 -6.320 1.00 31.12 H new ATOM 0 HG3 ARG A 43 32.265 1.521 -4.950 1.00 31.12 H new ATOM 0 HD2 ARG A 43 33.366 -0.303 -3.482 1.00 63.13 H new ATOM 0 HD3 ARG A 43 33.971 -0.990 -4.976 1.00 63.13 H new ATOM 0 HE ARG A 43 34.951 1.392 -3.629 1.00 41.21 H new ATOM 0 HH11 ARG A 43 34.552 -0.180 -6.764 1.00 64.24 H new ATOM 0 HH12 ARG A 43 35.907 0.684 -7.500 1.00 64.24 H new ATOM 0 HH21 ARG A 43 36.691 2.497 -4.580 1.00 61.02 H new ATOM 0 HH22 ARG A 43 37.113 2.193 -6.269 1.00 61.02 H new ATOM 705 N PHE A 44 29.561 -2.440 -6.898 1.00 74.33 N ATOM 706 CA PHE A 44 29.641 -3.587 -7.794 1.00 54.33 C ATOM 707 C PHE A 44 28.556 -3.518 -8.866 1.00 32.14 C ATOM 708 O PHE A 44 28.112 -4.543 -9.382 1.00 52.13 O ATOM 709 CB PHE A 44 29.509 -4.890 -7.003 1.00 73.10 C ATOM 710 CG PHE A 44 30.617 -5.104 -6.011 1.00 43.34 C ATOM 711 CD1 PHE A 44 31.943 -5.003 -6.401 1.00 40.21 C ATOM 712 CD2 PHE A 44 30.332 -5.404 -4.689 1.00 23.01 C ATOM 713 CE1 PHE A 44 32.964 -5.200 -5.490 1.00 23.33 C ATOM 714 CE2 PHE A 44 31.348 -5.601 -3.773 1.00 71.35 C ATOM 715 CZ PHE A 44 32.666 -5.498 -4.174 1.00 12.52 C ATOM 0 H PHE A 44 28.888 -2.545 -6.138 1.00 74.33 H new ATOM 0 HA PHE A 44 30.614 -3.565 -8.285 1.00 54.33 H new ATOM 0 HB2 PHE A 44 28.555 -4.891 -6.476 1.00 73.10 H new ATOM 0 HB3 PHE A 44 29.489 -5.728 -7.700 1.00 73.10 H new ATOM 0 HD1 PHE A 44 32.181 -4.768 -7.428 1.00 40.21 H new ATOM 0 HD2 PHE A 44 29.303 -5.485 -4.370 1.00 23.01 H new ATOM 0 HE1 PHE A 44 33.994 -5.121 -5.807 1.00 23.33 H new ATOM 0 HE2 PHE A 44 31.112 -5.835 -2.745 1.00 71.35 H new ATOM 0 HZ PHE A 44 33.462 -5.650 -3.460 1.00 12.52 H new ATOM 725 N ALA A 45 28.134 -2.301 -9.193 1.00 24.20 N ATOM 726 CA ALA A 45 27.102 -2.097 -10.202 1.00 64.22 C ATOM 727 C ALA A 45 25.781 -2.724 -9.773 1.00 34.35 C ATOM 728 O ALA A 45 24.901 -2.971 -10.597 1.00 43.33 O ATOM 729 CB ALA A 45 27.551 -2.668 -11.539 1.00 31.43 C ATOM 0 H ALA A 45 28.491 -1.442 -8.774 1.00 24.20 H new ATOM 0 HA ALA A 45 26.944 -1.024 -10.312 1.00 64.22 H new ATOM 0 HB1 ALA A 45 26.771 -2.509 -12.283 1.00 31.43 H new ATOM 0 HB2 ALA A 45 28.465 -2.169 -11.859 1.00 31.43 H new ATOM 0 HB3 ALA A 45 27.739 -3.736 -11.434 1.00 31.43 H new ATOM 735 N VAL A 46 25.648 -2.983 -8.475 1.00 10.52 N ATOM 736 CA VAL A 46 24.434 -3.583 -7.935 1.00 21.04 C ATOM 737 C VAL A 46 23.739 -2.637 -6.962 1.00 61.30 C ATOM 738 O VAL A 46 24.275 -2.318 -5.902 1.00 22.30 O ATOM 739 CB VAL A 46 24.736 -4.911 -7.216 1.00 2.44 C ATOM 740 CG1 VAL A 46 23.466 -5.491 -6.612 1.00 32.23 C ATOM 741 CG2 VAL A 46 25.379 -5.901 -8.175 1.00 51.11 C ATOM 0 H VAL A 46 26.367 -2.786 -7.778 1.00 10.52 H new ATOM 0 HA VAL A 46 23.774 -3.778 -8.781 1.00 21.04 H new ATOM 0 HB VAL A 46 25.439 -4.715 -6.406 1.00 2.44 H new ATOM 0 HG11 VAL A 46 23.698 -6.429 -6.108 1.00 32.23 H new ATOM 0 HG12 VAL A 46 23.050 -4.786 -5.892 1.00 32.23 H new ATOM 0 HG13 VAL A 46 22.738 -5.674 -7.402 1.00 32.23 H new ATOM 0 HG21 VAL A 46 25.586 -6.834 -7.650 1.00 51.11 H new ATOM 0 HG22 VAL A 46 24.701 -6.095 -9.006 1.00 51.11 H new ATOM 0 HG23 VAL A 46 26.311 -5.485 -8.556 1.00 51.11 H new ATOM 751 N ASN A 47 22.542 -2.193 -7.329 1.00 44.41 N ATOM 752 CA ASN A 47 21.774 -1.282 -6.489 1.00 10.15 C ATOM 753 C ASN A 47 21.532 -1.889 -5.110 1.00 34.11 C ATOM 754 O ASN A 47 21.350 -3.098 -4.958 1.00 41.33 O ATOM 755 CB ASN A 47 20.436 -0.948 -7.153 1.00 22.24 C ATOM 756 CG ASN A 47 20.566 0.143 -8.196 1.00 43.31 C ATOM 757 OD1 ASN A 47 20.554 -0.126 -9.398 1.00 10.34 O ATOM 758 ND2 ASN A 47 20.690 1.385 -7.743 1.00 62.51 N ATOM 0 H ASN A 47 22.083 -2.449 -8.203 1.00 44.41 H new ATOM 0 HA ASN A 47 22.351 -0.365 -6.368 1.00 10.15 H new ATOM 0 HB2 ASN A 47 20.030 -1.846 -7.619 1.00 22.24 H new ATOM 0 HB3 ASN A 47 19.723 -0.635 -6.390 1.00 22.24 H new ATOM 0 HD21 ASN A 47 20.780 2.161 -8.399 1.00 62.51 H new ATOM 0 HD22 ASN A 47 20.695 1.563 -6.739 1.00 62.51 H new ATOM 765 N PRO A 48 21.530 -1.032 -4.078 1.00 2.14 N ATOM 766 CA PRO A 48 21.310 -1.460 -2.693 1.00 12.21 C ATOM 767 C PRO A 48 19.876 -1.914 -2.446 1.00 44.42 C ATOM 768 O PRO A 48 19.557 -2.449 -1.386 1.00 33.31 O ATOM 769 CB PRO A 48 21.620 -0.201 -1.879 1.00 42.14 C ATOM 770 CG PRO A 48 21.369 0.928 -2.818 1.00 2.21 C ATOM 771 CD PRO A 48 21.739 0.422 -4.184 1.00 61.13 C ATOM 0 HA PRO A 48 21.928 -2.318 -2.429 1.00 12.21 H new ATOM 0 HB2 PRO A 48 20.982 -0.132 -0.998 1.00 42.14 H new ATOM 0 HB3 PRO A 48 22.652 -0.201 -1.527 1.00 42.14 H new ATOM 0 HG2 PRO A 48 20.324 1.237 -2.786 1.00 2.21 H new ATOM 0 HG3 PRO A 48 21.967 1.799 -2.550 1.00 2.21 H new ATOM 0 HD2 PRO A 48 21.112 0.863 -4.959 1.00 61.13 H new ATOM 0 HD3 PRO A 48 22.772 0.662 -4.435 1.00 61.13 H new ATOM 779 N GLY A 49 19.012 -1.695 -3.435 1.00 72.32 N ATOM 780 CA GLY A 49 17.621 -2.089 -3.305 1.00 62.14 C ATOM 781 C GLY A 49 17.431 -3.589 -3.407 1.00 51.53 C ATOM 782 O GLY A 49 16.311 -4.088 -3.296 1.00 12.13 O ATOM 0 H GLY A 49 19.251 -1.252 -4.322 1.00 72.32 H new ATOM 0 HA2 GLY A 49 17.236 -1.742 -2.346 1.00 62.14 H new ATOM 0 HA3 GLY A 49 17.034 -1.598 -4.081 1.00 62.14 H new ATOM 786 N LEU A 50 18.526 -4.309 -3.623 1.00 24.11 N ATOM 787 CA LEU A 50 18.475 -5.762 -3.742 1.00 3.14 C ATOM 788 C LEU A 50 18.773 -6.429 -2.403 1.00 52.30 C ATOM 789 O LEU A 50 19.174 -7.593 -2.353 1.00 12.51 O ATOM 790 CB LEU A 50 19.473 -6.242 -4.798 1.00 12.44 C ATOM 791 CG LEU A 50 19.380 -5.566 -6.166 1.00 4.21 C ATOM 792 CD1 LEU A 50 20.386 -6.172 -7.131 1.00 3.02 C ATOM 793 CD2 LEU A 50 17.968 -5.679 -6.723 1.00 2.44 C ATOM 0 H LEU A 50 19.460 -3.911 -3.719 1.00 24.11 H new ATOM 0 HA LEU A 50 17.467 -6.042 -4.049 1.00 3.14 H new ATOM 0 HB2 LEU A 50 20.481 -6.095 -4.410 1.00 12.44 H new ATOM 0 HB3 LEU A 50 19.338 -7.315 -4.935 1.00 12.44 H new ATOM 0 HG LEU A 50 19.617 -4.509 -6.044 1.00 4.21 H new ATOM 0 HD11 LEU A 50 20.305 -5.678 -8.099 1.00 3.02 H new ATOM 0 HD12 LEU A 50 21.394 -6.037 -6.738 1.00 3.02 H new ATOM 0 HD13 LEU A 50 20.182 -7.236 -7.249 1.00 3.02 H new ATOM 0 HD21 LEU A 50 17.921 -5.192 -7.697 1.00 2.44 H new ATOM 0 HD22 LEU A 50 17.702 -6.731 -6.830 1.00 2.44 H new ATOM 0 HD23 LEU A 50 17.268 -5.195 -6.042 1.00 2.44 H new ATOM 805 N LEU A 51 18.573 -5.687 -1.320 1.00 42.45 N ATOM 806 CA LEU A 51 18.819 -6.207 0.020 1.00 2.31 C ATOM 807 C LEU A 51 17.505 -6.463 0.754 1.00 52.53 C ATOM 808 O LEU A 51 17.450 -7.268 1.683 1.00 65.31 O ATOM 809 CB LEU A 51 19.679 -5.228 0.820 1.00 41.34 C ATOM 810 CG LEU A 51 21.011 -4.830 0.182 1.00 72.31 C ATOM 811 CD1 LEU A 51 21.413 -3.429 0.615 1.00 32.11 C ATOM 812 CD2 LEU A 51 22.096 -5.835 0.544 1.00 23.31 C ATOM 0 H LEU A 51 18.241 -4.723 -1.344 1.00 42.45 H new ATOM 0 HA LEU A 51 19.352 -7.153 -0.077 1.00 2.31 H new ATOM 0 HB2 LEU A 51 19.097 -4.323 0.994 1.00 41.34 H new ATOM 0 HB3 LEU A 51 19.883 -5.668 1.796 1.00 41.34 H new ATOM 0 HG LEU A 51 20.889 -4.831 -0.901 1.00 72.31 H new ATOM 0 HD11 LEU A 51 22.363 -3.163 0.151 1.00 32.11 H new ATOM 0 HD12 LEU A 51 20.647 -2.718 0.305 1.00 32.11 H new ATOM 0 HD13 LEU A 51 21.518 -3.399 1.700 1.00 32.11 H new ATOM 0 HD21 LEU A 51 23.037 -5.537 0.082 1.00 23.31 H new ATOM 0 HD22 LEU A 51 22.217 -5.865 1.627 1.00 23.31 H new ATOM 0 HD23 LEU A 51 21.812 -6.823 0.183 1.00 23.31 H new ATOM 824 N GLU A 52 16.451 -5.775 0.327 1.00 53.00 N ATOM 825 CA GLU A 52 15.139 -5.930 0.942 1.00 23.54 C ATOM 826 C GLU A 52 14.304 -6.964 0.192 1.00 34.44 C ATOM 827 O GLU A 52 13.080 -7.005 0.323 1.00 61.30 O ATOM 828 CB GLU A 52 14.402 -4.589 0.972 1.00 50.15 C ATOM 829 CG GLU A 52 13.870 -4.157 -0.384 1.00 73.15 C ATOM 830 CD GLU A 52 13.730 -2.652 -0.503 1.00 20.03 C ATOM 831 OE1 GLU A 52 14.763 -1.971 -0.672 1.00 22.03 O ATOM 832 OE2 GLU A 52 12.587 -2.154 -0.427 1.00 33.12 O ATOM 0 H GLU A 52 16.480 -5.105 -0.442 1.00 53.00 H new ATOM 0 HA GLU A 52 15.286 -6.279 1.964 1.00 23.54 H new ATOM 0 HB2 GLU A 52 13.571 -4.656 1.674 1.00 50.15 H new ATOM 0 HB3 GLU A 52 15.077 -3.821 1.350 1.00 50.15 H new ATOM 0 HG2 GLU A 52 14.539 -4.519 -1.165 1.00 73.15 H new ATOM 0 HG3 GLU A 52 12.900 -4.623 -0.555 1.00 73.15 H new ATOM 839 N THR A 53 14.975 -7.799 -0.596 1.00 45.52 N ATOM 840 CA THR A 53 14.297 -8.832 -1.369 1.00 44.51 C ATOM 841 C THR A 53 15.078 -10.141 -1.342 1.00 25.24 C ATOM 842 O THR A 53 16.242 -10.188 -1.736 1.00 62.35 O ATOM 843 CB THR A 53 14.096 -8.397 -2.833 1.00 42.41 C ATOM 844 OG1 THR A 53 15.337 -8.480 -3.543 1.00 13.14 O ATOM 845 CG2 THR A 53 13.559 -6.976 -2.907 1.00 64.10 C ATOM 0 H THR A 53 15.988 -7.780 -0.715 1.00 45.52 H new ATOM 0 HA THR A 53 13.322 -8.985 -0.906 1.00 44.51 H new ATOM 0 HB THR A 53 13.369 -9.068 -3.291 1.00 42.41 H new ATOM 0 HG1 THR A 53 16.028 -8.848 -2.953 1.00 13.14 H new ATOM 0 HG21 THR A 53 13.425 -6.691 -3.951 1.00 64.10 H new ATOM 0 HG22 THR A 53 12.601 -6.922 -2.391 1.00 64.10 H new ATOM 0 HG23 THR A 53 14.266 -6.295 -2.433 1.00 64.10 H new ATOM 853 N SER A 54 14.429 -11.202 -0.875 1.00 24.13 N ATOM 854 CA SER A 54 15.064 -12.511 -0.794 1.00 32.14 C ATOM 855 C SER A 54 15.571 -12.955 -2.162 1.00 63.40 C ATOM 856 O SER A 54 16.486 -13.772 -2.261 1.00 54.22 O ATOM 857 CB SER A 54 14.080 -13.546 -0.243 1.00 30.42 C ATOM 858 OG SER A 54 14.704 -14.383 0.716 1.00 3.44 O ATOM 0 H SER A 54 13.463 -11.181 -0.547 1.00 24.13 H new ATOM 0 HA SER A 54 15.915 -12.432 -0.118 1.00 32.14 H new ATOM 0 HB2 SER A 54 13.230 -13.038 0.212 1.00 30.42 H new ATOM 0 HB3 SER A 54 13.689 -14.152 -1.060 1.00 30.42 H new ATOM 0 HG SER A 54 15.502 -14.794 0.322 1.00 3.44 H new ATOM 864 N GLU A 55 14.970 -12.409 -3.214 1.00 55.55 N ATOM 865 CA GLU A 55 15.361 -12.749 -4.578 1.00 42.01 C ATOM 866 C GLU A 55 16.607 -11.974 -4.996 1.00 43.03 C ATOM 867 O GLU A 55 17.519 -12.527 -5.609 1.00 74.45 O ATOM 868 CB GLU A 55 14.216 -12.456 -5.548 1.00 2.44 C ATOM 869 CG GLU A 55 14.141 -13.428 -6.714 1.00 12.14 C ATOM 870 CD GLU A 55 12.729 -13.601 -7.239 1.00 14.24 C ATOM 871 OE1 GLU A 55 11.871 -12.750 -6.925 1.00 11.00 O ATOM 872 OE2 GLU A 55 12.482 -14.588 -7.963 1.00 74.24 O ATOM 0 H GLU A 55 14.211 -11.730 -3.149 1.00 55.55 H new ATOM 0 HA GLU A 55 15.590 -13.814 -4.608 1.00 42.01 H new ATOM 0 HB2 GLU A 55 13.273 -12.483 -5.002 1.00 2.44 H new ATOM 0 HB3 GLU A 55 14.330 -11.444 -5.936 1.00 2.44 H new ATOM 0 HG2 GLU A 55 14.783 -13.073 -7.520 1.00 12.14 H new ATOM 0 HG3 GLU A 55 14.529 -14.397 -6.400 1.00 12.14 H new ATOM 879 N GLY A 56 16.638 -10.687 -4.660 1.00 32.41 N ATOM 880 CA GLY A 56 17.775 -9.856 -5.009 1.00 75.50 C ATOM 881 C GLY A 56 18.995 -10.158 -4.160 1.00 63.23 C ATOM 882 O GLY A 56 20.121 -9.832 -4.541 1.00 24.04 O ATOM 0 H GLY A 56 15.896 -10.206 -4.152 1.00 32.41 H new ATOM 0 HA2 GLY A 56 18.021 -10.005 -6.060 1.00 75.50 H new ATOM 0 HA3 GLY A 56 17.504 -8.807 -4.891 1.00 75.50 H new ATOM 886 N CYS A 57 18.773 -10.780 -3.008 1.00 72.51 N ATOM 887 CA CYS A 57 19.864 -11.123 -2.102 1.00 70.10 C ATOM 888 C CYS A 57 20.603 -12.365 -2.587 1.00 32.31 C ATOM 889 O CYS A 57 21.834 -12.395 -2.617 1.00 1.14 O ATOM 890 CB CYS A 57 19.326 -11.354 -0.688 1.00 50.55 C ATOM 891 SG CYS A 57 18.706 -9.860 0.119 1.00 4.52 S ATOM 0 H CYS A 57 17.848 -11.057 -2.679 1.00 72.51 H new ATOM 0 HA CYS A 57 20.566 -10.289 -2.085 1.00 70.10 H new ATOM 0 HB2 CYS A 57 18.523 -12.090 -0.732 1.00 50.55 H new ATOM 0 HB3 CYS A 57 20.119 -11.783 -0.075 1.00 50.55 H new ATOM 0 HG CYS A 57 17.537 -9.559 -0.364 1.00 4.52 H new ATOM 897 N ARG A 58 19.845 -13.389 -2.964 1.00 53.23 N ATOM 898 CA ARG A 58 20.429 -14.635 -3.446 1.00 33.22 C ATOM 899 C ARG A 58 21.429 -14.370 -4.568 1.00 21.55 C ATOM 900 O ARG A 58 22.521 -14.937 -4.584 1.00 11.10 O ATOM 901 CB ARG A 58 19.331 -15.580 -3.939 1.00 51.02 C ATOM 902 CG ARG A 58 19.864 -16.868 -4.546 1.00 72.13 C ATOM 903 CD ARG A 58 18.794 -17.947 -4.592 1.00 12.31 C ATOM 904 NE ARG A 58 18.320 -18.191 -5.951 1.00 51.42 N ATOM 905 CZ ARG A 58 17.523 -19.200 -6.282 1.00 13.24 C ATOM 906 NH1 ARG A 58 17.111 -20.055 -5.356 1.00 53.21 N ATOM 907 NH2 ARG A 58 17.135 -19.356 -7.541 1.00 11.31 N ATOM 0 H ARG A 58 18.825 -13.381 -2.945 1.00 53.23 H new ATOM 0 HA ARG A 58 20.958 -15.104 -2.616 1.00 33.22 H new ATOM 0 HB2 ARG A 58 18.674 -15.826 -3.105 1.00 51.02 H new ATOM 0 HB3 ARG A 58 18.724 -15.062 -4.682 1.00 51.02 H new ATOM 0 HG2 ARG A 58 20.229 -16.673 -5.554 1.00 72.13 H new ATOM 0 HG3 ARG A 58 20.714 -17.222 -3.963 1.00 72.13 H new ATOM 0 HD2 ARG A 58 19.194 -18.872 -4.176 1.00 12.31 H new ATOM 0 HD3 ARG A 58 17.954 -17.652 -3.963 1.00 12.31 H new ATOM 0 HE ARG A 58 18.618 -17.551 -6.687 1.00 51.42 H new ATOM 0 HH11 ARG A 58 17.406 -19.938 -4.387 1.00 53.21 H new ATOM 0 HH12 ARG A 58 16.499 -20.829 -5.613 1.00 53.21 H new ATOM 0 HH21 ARG A 58 17.449 -18.700 -8.256 1.00 11.31 H new ATOM 0 HH22 ARG A 58 16.523 -20.132 -7.794 1.00 11.31 H new ATOM 921 N GLN A 59 21.046 -13.507 -5.502 1.00 5.23 N ATOM 922 CA GLN A 59 21.909 -13.168 -6.628 1.00 0.52 C ATOM 923 C GLN A 59 23.262 -12.660 -6.143 1.00 25.32 C ATOM 924 O GLN A 59 24.266 -12.768 -6.848 1.00 31.44 O ATOM 925 CB GLN A 59 21.240 -12.113 -7.510 1.00 70.44 C ATOM 926 CG GLN A 59 19.981 -12.607 -8.203 1.00 51.14 C ATOM 927 CD GLN A 59 19.720 -11.896 -9.516 1.00 2.24 C ATOM 928 OE1 GLN A 59 20.421 -12.116 -10.505 1.00 64.21 O ATOM 929 NE2 GLN A 59 18.706 -11.039 -9.534 1.00 65.22 N ATOM 0 H GLN A 59 20.145 -13.030 -5.502 1.00 5.23 H new ATOM 0 HA GLN A 59 22.071 -14.072 -7.215 1.00 0.52 H new ATOM 0 HB2 GLN A 59 20.991 -11.245 -6.899 1.00 70.44 H new ATOM 0 HB3 GLN A 59 21.952 -11.778 -8.264 1.00 70.44 H new ATOM 0 HG2 GLN A 59 20.068 -13.678 -8.385 1.00 51.14 H new ATOM 0 HG3 GLN A 59 19.127 -12.464 -7.541 1.00 51.14 H new ATOM 0 HE21 GLN A 59 18.151 -10.887 -8.691 1.00 65.22 H new ATOM 0 HE22 GLN A 59 18.482 -10.532 -10.390 1.00 65.22 H new ATOM 938 N ILE A 60 23.282 -12.105 -4.935 1.00 44.25 N ATOM 939 CA ILE A 60 24.513 -11.579 -4.357 1.00 13.24 C ATOM 940 C ILE A 60 25.464 -12.708 -3.975 1.00 63.14 C ATOM 941 O ILE A 60 26.682 -12.583 -4.119 1.00 35.02 O ATOM 942 CB ILE A 60 24.227 -10.721 -3.111 1.00 42.22 C ATOM 943 CG1 ILE A 60 23.123 -9.703 -3.408 1.00 1.14 C ATOM 944 CG2 ILE A 60 25.495 -10.015 -2.652 1.00 12.15 C ATOM 945 CD1 ILE A 60 22.730 -8.870 -2.208 1.00 3.51 C ATOM 0 H ILE A 60 22.460 -12.008 -4.338 1.00 44.25 H new ATOM 0 HA ILE A 60 24.980 -10.954 -5.119 1.00 13.24 H new ATOM 0 HB ILE A 60 23.887 -11.375 -2.308 1.00 42.22 H new ATOM 0 HG12 ILE A 60 23.456 -9.040 -4.207 1.00 1.14 H new ATOM 0 HG13 ILE A 60 22.244 -10.230 -3.778 1.00 1.14 H new ATOM 0 HG21 ILE A 60 25.277 -9.412 -1.770 1.00 12.15 H new ATOM 0 HG22 ILE A 60 26.255 -10.756 -2.406 1.00 12.15 H new ATOM 0 HG23 ILE A 60 25.862 -9.370 -3.451 1.00 12.15 H new ATOM 0 HD11 ILE A 60 21.943 -8.171 -2.492 1.00 3.51 H new ATOM 0 HD12 ILE A 60 22.366 -9.523 -1.415 1.00 3.51 H new ATOM 0 HD13 ILE A 60 23.597 -8.315 -1.851 1.00 3.51 H new ATOM 957 N LEU A 61 24.904 -13.810 -3.489 1.00 4.45 N ATOM 958 CA LEU A 61 25.702 -14.962 -3.088 1.00 53.24 C ATOM 959 C LEU A 61 26.164 -15.755 -4.307 1.00 44.15 C ATOM 960 O LEU A 61 27.177 -16.452 -4.259 1.00 52.52 O ATOM 961 CB LEU A 61 24.897 -15.865 -2.154 1.00 14.24 C ATOM 962 CG LEU A 61 24.427 -15.229 -0.845 1.00 13.43 C ATOM 963 CD1 LEU A 61 23.324 -16.064 -0.212 1.00 22.01 C ATOM 964 CD2 LEU A 61 25.594 -15.066 0.117 1.00 24.10 C ATOM 0 H LEU A 61 23.899 -13.930 -3.363 1.00 4.45 H new ATOM 0 HA LEU A 61 26.583 -14.596 -2.560 1.00 53.24 H new ATOM 0 HB2 LEU A 61 24.022 -16.225 -2.695 1.00 14.24 H new ATOM 0 HB3 LEU A 61 25.504 -16.738 -1.913 1.00 14.24 H new ATOM 0 HG LEU A 61 24.024 -14.241 -1.067 1.00 13.43 H new ATOM 0 HD11 LEU A 61 23.002 -15.596 0.718 1.00 22.01 H new ATOM 0 HD12 LEU A 61 22.479 -16.129 -0.897 1.00 22.01 H new ATOM 0 HD13 LEU A 61 23.700 -17.066 -0.003 1.00 22.01 H new ATOM 0 HD21 LEU A 61 25.241 -14.612 1.043 1.00 24.10 H new ATOM 0 HD22 LEU A 61 26.026 -16.043 0.333 1.00 24.10 H new ATOM 0 HD23 LEU A 61 26.352 -14.426 -0.335 1.00 24.10 H new ATOM 976 N GLY A 62 25.416 -15.641 -5.399 1.00 40.53 N ATOM 977 CA GLY A 62 25.766 -16.350 -6.616 1.00 73.01 C ATOM 978 C GLY A 62 26.994 -15.772 -7.293 1.00 20.55 C ATOM 979 O GLY A 62 27.627 -16.436 -8.113 1.00 23.40 O ATOM 0 H GLY A 62 24.573 -15.070 -5.463 1.00 40.53 H new ATOM 0 HA2 GLY A 62 25.944 -17.400 -6.383 1.00 73.01 H new ATOM 0 HA3 GLY A 62 24.924 -16.316 -7.307 1.00 73.01 H new ATOM 983 N GLN A 63 27.328 -14.532 -6.948 1.00 14.34 N ATOM 984 CA GLN A 63 28.487 -13.866 -7.529 1.00 4.42 C ATOM 985 C GLN A 63 29.683 -13.933 -6.586 1.00 41.15 C ATOM 986 O GLN A 63 30.835 -13.876 -7.022 1.00 13.44 O ATOM 987 CB GLN A 63 28.155 -12.407 -7.849 1.00 22.14 C ATOM 988 CG GLN A 63 27.742 -12.179 -9.293 1.00 5.52 C ATOM 989 CD GLN A 63 26.257 -11.911 -9.441 1.00 40.31 C ATOM 990 OE1 GLN A 63 25.557 -12.613 -10.173 1.00 63.52 O ATOM 991 NE2 GLN A 63 25.766 -10.892 -8.744 1.00 72.24 N ATOM 0 H GLN A 63 26.813 -13.970 -6.270 1.00 14.34 H new ATOM 0 HA GLN A 63 28.747 -14.383 -8.452 1.00 4.42 H new ATOM 0 HB2 GLN A 63 27.351 -12.074 -7.193 1.00 22.14 H new ATOM 0 HB3 GLN A 63 29.024 -11.788 -7.627 1.00 22.14 H new ATOM 0 HG2 GLN A 63 28.301 -11.336 -9.698 1.00 5.52 H new ATOM 0 HG3 GLN A 63 28.010 -13.053 -9.886 1.00 5.52 H new ATOM 0 HE21 GLN A 63 26.382 -10.337 -8.150 1.00 72.24 H new ATOM 0 HE22 GLN A 63 24.773 -10.665 -8.803 1.00 72.24 H new ATOM 1000 N LEU A 64 29.405 -14.052 -5.294 1.00 30.52 N ATOM 1001 CA LEU A 64 30.460 -14.127 -4.288 1.00 24.54 C ATOM 1002 C LEU A 64 30.843 -15.576 -4.007 1.00 72.12 C ATOM 1003 O LEU A 64 31.948 -15.856 -3.543 1.00 73.21 O ATOM 1004 CB LEU A 64 30.007 -13.448 -2.994 1.00 2.24 C ATOM 1005 CG LEU A 64 29.676 -11.958 -3.097 1.00 33.04 C ATOM 1006 CD1 LEU A 64 29.130 -11.440 -1.775 1.00 40.04 C ATOM 1007 CD2 LEU A 64 30.906 -11.167 -3.516 1.00 23.11 C ATOM 0 H LEU A 64 28.458 -14.099 -4.917 1.00 30.52 H new ATOM 0 HA LEU A 64 31.336 -13.608 -4.677 1.00 24.54 H new ATOM 0 HB2 LEU A 64 29.125 -13.971 -2.623 1.00 2.24 H new ATOM 0 HB3 LEU A 64 30.791 -13.575 -2.247 1.00 2.24 H new ATOM 0 HG LEU A 64 28.908 -11.827 -3.859 1.00 33.04 H new ATOM 0 HD11 LEU A 64 28.900 -10.378 -1.867 1.00 40.04 H new ATOM 0 HD12 LEU A 64 28.223 -11.987 -1.517 1.00 40.04 H new ATOM 0 HD13 LEU A 64 29.875 -11.583 -0.992 1.00 40.04 H new ATOM 0 HD21 LEU A 64 30.652 -10.109 -3.584 1.00 23.11 H new ATOM 0 HD22 LEU A 64 31.696 -11.304 -2.777 1.00 23.11 H new ATOM 0 HD23 LEU A 64 31.252 -11.520 -4.487 1.00 23.11 H new ATOM 1019 N GLN A 65 29.925 -16.493 -4.295 1.00 43.23 N ATOM 1020 CA GLN A 65 30.169 -17.913 -4.076 1.00 11.02 C ATOM 1021 C GLN A 65 31.481 -18.347 -4.722 1.00 45.24 C ATOM 1022 O GLN A 65 32.411 -18.796 -4.054 1.00 55.25 O ATOM 1023 CB GLN A 65 29.013 -18.743 -4.635 1.00 3.10 C ATOM 1024 CG GLN A 65 28.116 -19.339 -3.560 1.00 42.04 C ATOM 1025 CD GLN A 65 27.264 -20.481 -4.079 1.00 51.13 C ATOM 1026 OE1 GLN A 65 27.372 -21.613 -3.609 1.00 53.40 O ATOM 1027 NE2 GLN A 65 26.410 -20.187 -5.052 1.00 72.33 N ATOM 0 H GLN A 65 29.006 -16.278 -4.681 1.00 43.23 H new ATOM 0 HA GLN A 65 30.242 -18.081 -3.001 1.00 11.02 H new ATOM 0 HB2 GLN A 65 28.411 -18.116 -5.292 1.00 3.10 H new ATOM 0 HB3 GLN A 65 29.418 -19.549 -5.247 1.00 3.10 H new ATOM 0 HG2 GLN A 65 28.732 -19.696 -2.735 1.00 42.04 H new ATOM 0 HG3 GLN A 65 27.468 -18.560 -3.160 1.00 42.04 H new ATOM 0 HE21 GLN A 65 26.355 -19.234 -5.411 1.00 72.33 H new ATOM 0 HE22 GLN A 65 25.809 -20.914 -5.440 1.00 72.33 H new ATOM 1036 N PRO A 66 31.558 -18.209 -6.055 1.00 60.30 N ATOM 1037 CA PRO A 66 32.751 -18.581 -6.821 1.00 24.42 C ATOM 1038 C PRO A 66 33.924 -17.644 -6.558 1.00 41.23 C ATOM 1039 O PRO A 66 35.066 -17.950 -6.903 1.00 42.01 O ATOM 1040 CB PRO A 66 32.289 -18.465 -8.276 1.00 24.25 C ATOM 1041 CG PRO A 66 31.170 -17.482 -8.240 1.00 11.43 C ATOM 1042 CD PRO A 66 30.487 -17.680 -6.915 1.00 3.14 C ATOM 0 HA PRO A 66 33.115 -19.573 -6.553 1.00 24.42 H new ATOM 0 HB2 PRO A 66 33.097 -18.122 -8.922 1.00 24.25 H new ATOM 0 HB3 PRO A 66 31.958 -19.428 -8.664 1.00 24.25 H new ATOM 0 HG2 PRO A 66 31.543 -16.463 -8.338 1.00 11.43 H new ATOM 0 HG3 PRO A 66 30.477 -17.649 -9.065 1.00 11.43 H new ATOM 0 HD2 PRO A 66 30.085 -16.744 -6.526 1.00 3.14 H new ATOM 0 HD3 PRO A 66 29.653 -18.377 -6.993 1.00 3.14 H new ATOM 1050 N SER A 67 33.636 -16.500 -5.946 1.00 25.44 N ATOM 1051 CA SER A 67 34.668 -15.516 -5.639 1.00 3.43 C ATOM 1052 C SER A 67 34.979 -15.502 -4.145 1.00 44.23 C ATOM 1053 O SER A 67 35.431 -14.491 -3.603 1.00 15.35 O ATOM 1054 CB SER A 67 34.225 -14.124 -6.092 1.00 4.31 C ATOM 1055 OG SER A 67 33.831 -14.131 -7.453 1.00 13.20 O ATOM 0 H SER A 67 32.697 -16.231 -5.653 1.00 25.44 H new ATOM 0 HA SER A 67 35.573 -15.795 -6.178 1.00 3.43 H new ATOM 0 HB2 SER A 67 33.396 -13.783 -5.472 1.00 4.31 H new ATOM 0 HB3 SER A 67 35.041 -13.415 -5.950 1.00 4.31 H new ATOM 0 HG SER A 67 32.859 -14.023 -7.513 1.00 13.20 H new ATOM 1061 N LEU A 68 34.735 -16.628 -3.486 1.00 10.25 N ATOM 1062 CA LEU A 68 34.988 -16.748 -2.054 1.00 5.24 C ATOM 1063 C LEU A 68 36.468 -16.996 -1.783 1.00 25.31 C ATOM 1064 O LEU A 68 37.040 -16.429 -0.852 1.00 55.24 O ATOM 1065 CB LEU A 68 34.151 -17.882 -1.462 1.00 34.43 C ATOM 1066 CG LEU A 68 32.825 -17.475 -0.820 1.00 0.02 C ATOM 1067 CD1 LEU A 68 31.916 -18.683 -0.657 1.00 53.24 C ATOM 1068 CD2 LEU A 68 33.067 -16.802 0.523 1.00 20.04 C ATOM 0 H LEU A 68 34.362 -17.472 -3.920 1.00 10.25 H new ATOM 0 HA LEU A 68 34.703 -15.809 -1.579 1.00 5.24 H new ATOM 0 HB2 LEU A 68 33.942 -18.603 -2.252 1.00 34.43 H new ATOM 0 HB3 LEU A 68 34.752 -18.396 -0.712 1.00 34.43 H new ATOM 0 HG LEU A 68 32.330 -16.761 -1.478 1.00 0.02 H new ATOM 0 HD11 LEU A 68 30.977 -18.373 -0.198 1.00 53.24 H new ATOM 0 HD12 LEU A 68 31.715 -19.121 -1.634 1.00 53.24 H new ATOM 0 HD13 LEU A 68 32.404 -19.422 -0.021 1.00 53.24 H new ATOM 0 HD21 LEU A 68 32.112 -16.519 0.966 1.00 20.04 H new ATOM 0 HD22 LEU A 68 33.585 -17.493 1.188 1.00 20.04 H new ATOM 0 HD23 LEU A 68 33.678 -15.911 0.379 1.00 20.04 H new ATOM 1080 N GLN A 69 37.081 -17.844 -2.602 1.00 22.43 N ATOM 1081 CA GLN A 69 38.495 -18.164 -2.450 1.00 13.31 C ATOM 1082 C GLN A 69 39.370 -17.003 -2.911 1.00 72.20 C ATOM 1083 O GLN A 69 40.387 -16.693 -2.290 1.00 5.10 O ATOM 1084 CB GLN A 69 38.842 -19.426 -3.243 1.00 11.23 C ATOM 1085 CG GLN A 69 40.140 -20.084 -2.803 1.00 12.34 C ATOM 1086 CD GLN A 69 39.966 -20.946 -1.568 1.00 21.31 C ATOM 1087 OE1 GLN A 69 38.905 -21.529 -1.347 1.00 13.24 O ATOM 1088 NE2 GLN A 69 41.012 -21.030 -0.753 1.00 51.23 N ATOM 0 H GLN A 69 36.621 -18.322 -3.377 1.00 22.43 H new ATOM 0 HA GLN A 69 38.689 -18.343 -1.392 1.00 13.31 H new ATOM 0 HB2 GLN A 69 38.028 -20.144 -3.142 1.00 11.23 H new ATOM 0 HB3 GLN A 69 38.913 -19.172 -4.301 1.00 11.23 H new ATOM 0 HG2 GLN A 69 40.527 -20.696 -3.617 1.00 12.34 H new ATOM 0 HG3 GLN A 69 40.884 -19.313 -2.602 1.00 12.34 H new ATOM 0 HE21 GLN A 69 41.873 -20.530 -0.975 1.00 51.23 H new ATOM 0 HE22 GLN A 69 40.954 -21.595 0.094 1.00 51.23 H new ATOM 1097 N THR A 70 38.968 -16.364 -4.005 1.00 40.21 N ATOM 1098 CA THR A 70 39.715 -15.239 -4.551 1.00 63.14 C ATOM 1099 C THR A 70 39.143 -13.912 -4.066 1.00 63.31 C ATOM 1100 O THR A 70 39.285 -12.884 -4.728 1.00 34.33 O ATOM 1101 CB THR A 70 39.710 -15.254 -6.091 1.00 74.12 C ATOM 1102 OG1 THR A 70 39.621 -16.602 -6.568 1.00 23.34 O ATOM 1103 CG2 THR A 70 40.967 -14.598 -6.643 1.00 55.20 C ATOM 0 H THR A 70 38.128 -16.607 -4.530 1.00 40.21 H new ATOM 0 HA THR A 70 40.741 -15.341 -4.198 1.00 63.14 H new ATOM 0 HB THR A 70 38.843 -14.689 -6.435 1.00 74.12 H new ATOM 0 HG1 THR A 70 39.617 -16.603 -7.548 1.00 23.34 H new ATOM 0 HG21 THR A 70 40.941 -14.621 -7.732 1.00 55.20 H new ATOM 0 HG22 THR A 70 41.017 -13.564 -6.303 1.00 55.20 H new ATOM 0 HG23 THR A 70 41.845 -15.139 -6.290 1.00 55.20 H new ATOM 1111 N GLY A 71 38.495 -13.941 -2.905 1.00 2.21 N ATOM 1112 CA GLY A 71 37.910 -12.734 -2.351 1.00 62.25 C ATOM 1113 C GLY A 71 38.607 -12.281 -1.083 1.00 34.05 C ATOM 1114 O GLY A 71 38.844 -13.082 -0.178 1.00 4.40 O ATOM 0 H GLY A 71 38.365 -14.779 -2.338 1.00 2.21 H new ATOM 0 HA2 GLY A 71 37.958 -11.937 -3.093 1.00 62.25 H new ATOM 0 HA3 GLY A 71 36.855 -12.909 -2.139 1.00 62.25 H new ATOM 1118 N SER A 72 38.937 -10.996 -1.017 1.00 32.14 N ATOM 1119 CA SER A 72 39.616 -10.440 0.148 1.00 70.03 C ATOM 1120 C SER A 72 38.661 -10.331 1.332 1.00 3.15 C ATOM 1121 O SER A 72 37.508 -10.755 1.255 1.00 52.11 O ATOM 1122 CB SER A 72 40.196 -9.063 -0.182 1.00 40.43 C ATOM 1123 OG SER A 72 39.168 -8.102 -0.343 1.00 22.52 O ATOM 0 H SER A 72 38.745 -10.320 -1.756 1.00 32.14 H new ATOM 0 HA SER A 72 40.429 -11.113 0.420 1.00 70.03 H new ATOM 0 HB2 SER A 72 40.870 -8.749 0.615 1.00 40.43 H new ATOM 0 HB3 SER A 72 40.788 -9.124 -1.095 1.00 40.43 H new ATOM 0 HG SER A 72 39.565 -7.230 -0.552 1.00 22.52 H new ATOM 1129 N GLU A 73 39.149 -9.758 2.428 1.00 45.35 N ATOM 1130 CA GLU A 73 38.340 -9.593 3.630 1.00 54.42 C ATOM 1131 C GLU A 73 37.019 -8.901 3.305 1.00 62.04 C ATOM 1132 O GLU A 73 35.993 -9.180 3.923 1.00 22.30 O ATOM 1133 CB GLU A 73 39.106 -8.787 4.681 1.00 42.32 C ATOM 1134 CG GLU A 73 40.300 -9.525 5.263 1.00 61.03 C ATOM 1135 CD GLU A 73 41.622 -8.884 4.885 1.00 12.34 C ATOM 1136 OE1 GLU A 73 42.182 -9.254 3.832 1.00 34.31 O ATOM 1137 OE2 GLU A 73 42.095 -8.012 5.643 1.00 23.05 O ATOM 0 H GLU A 73 40.101 -9.400 2.508 1.00 45.35 H new ATOM 0 HA GLU A 73 38.123 -10.583 4.030 1.00 54.42 H new ATOM 0 HB2 GLU A 73 39.449 -7.855 4.233 1.00 42.32 H new ATOM 0 HB3 GLU A 73 38.425 -8.520 5.489 1.00 42.32 H new ATOM 0 HG2 GLU A 73 40.211 -9.553 6.349 1.00 61.03 H new ATOM 0 HG3 GLU A 73 40.289 -10.558 4.916 1.00 61.03 H new ATOM 1144 N GLU A 74 37.055 -7.997 2.330 1.00 31.14 N ATOM 1145 CA GLU A 74 35.862 -7.264 1.925 1.00 11.15 C ATOM 1146 C GLU A 74 34.775 -8.220 1.439 1.00 32.51 C ATOM 1147 O GLU A 74 33.614 -8.111 1.836 1.00 44.14 O ATOM 1148 CB GLU A 74 36.202 -6.260 0.822 1.00 31.02 C ATOM 1149 CG GLU A 74 36.840 -4.982 1.339 1.00 62.44 C ATOM 1150 CD GLU A 74 37.000 -3.931 0.257 1.00 34.11 C ATOM 1151 OE1 GLU A 74 37.910 -4.081 -0.585 1.00 70.25 O ATOM 1152 OE2 GLU A 74 36.216 -2.959 0.253 1.00 20.23 O ATOM 0 H GLU A 74 37.897 -7.756 1.807 1.00 31.14 H new ATOM 0 HA GLU A 74 35.486 -6.724 2.794 1.00 11.15 H new ATOM 0 HB2 GLU A 74 36.878 -6.731 0.109 1.00 31.02 H new ATOM 0 HB3 GLU A 74 35.291 -6.008 0.279 1.00 31.02 H new ATOM 0 HG2 GLU A 74 36.230 -4.577 2.147 1.00 62.44 H new ATOM 0 HG3 GLU A 74 37.817 -5.214 1.763 1.00 62.44 H new ATOM 1159 N LEU A 75 35.160 -9.156 0.579 1.00 35.52 N ATOM 1160 CA LEU A 75 34.220 -10.132 0.039 1.00 63.04 C ATOM 1161 C LEU A 75 33.660 -11.019 1.145 1.00 12.13 C ATOM 1162 O LEU A 75 32.450 -11.231 1.231 1.00 34.05 O ATOM 1163 CB LEU A 75 34.904 -10.993 -1.024 1.00 4.34 C ATOM 1164 CG LEU A 75 34.007 -11.503 -2.154 1.00 30.45 C ATOM 1165 CD1 LEU A 75 34.761 -11.506 -3.474 1.00 2.04 C ATOM 1166 CD2 LEU A 75 33.485 -12.896 -1.832 1.00 41.33 C ATOM 0 H LEU A 75 36.117 -9.260 0.241 1.00 35.52 H new ATOM 0 HA LEU A 75 33.393 -9.589 -0.419 1.00 63.04 H new ATOM 0 HB2 LEU A 75 35.716 -10.414 -1.465 1.00 4.34 H new ATOM 0 HB3 LEU A 75 35.357 -11.853 -0.530 1.00 4.34 H new ATOM 0 HG LEU A 75 33.155 -10.830 -2.248 1.00 30.45 H new ATOM 0 HD11 LEU A 75 34.107 -11.872 -4.266 1.00 2.04 H new ATOM 0 HD12 LEU A 75 35.085 -10.492 -3.710 1.00 2.04 H new ATOM 0 HD13 LEU A 75 35.632 -12.156 -3.394 1.00 2.04 H new ATOM 0 HD21 LEU A 75 32.849 -13.243 -2.646 1.00 41.33 H new ATOM 0 HD22 LEU A 75 34.325 -13.580 -1.710 1.00 41.33 H new ATOM 0 HD23 LEU A 75 32.907 -12.863 -0.908 1.00 41.33 H new ATOM 1178 N ARG A 76 34.546 -11.533 1.991 1.00 63.00 N ATOM 1179 CA ARG A 76 34.140 -12.396 3.093 1.00 14.11 C ATOM 1180 C ARG A 76 33.049 -11.734 3.929 1.00 52.00 C ATOM 1181 O ARG A 76 32.009 -12.335 4.199 1.00 51.44 O ATOM 1182 CB ARG A 76 35.343 -12.731 3.978 1.00 43.21 C ATOM 1183 CG ARG A 76 35.677 -14.213 4.016 1.00 22.11 C ATOM 1184 CD ARG A 76 37.015 -14.465 4.693 1.00 62.25 C ATOM 1185 NE ARG A 76 36.998 -14.074 6.101 1.00 62.23 N ATOM 1186 CZ ARG A 76 38.059 -14.147 6.896 1.00 72.22 C ATOM 1187 NH1 ARG A 76 39.216 -14.593 6.426 1.00 14.22 N ATOM 1188 NH2 ARG A 76 37.965 -13.772 8.166 1.00 13.40 N ATOM 0 H ARG A 76 35.551 -11.367 1.934 1.00 63.00 H new ATOM 0 HA ARG A 76 33.741 -13.318 2.670 1.00 14.11 H new ATOM 0 HB2 ARG A 76 36.212 -12.180 3.619 1.00 43.21 H new ATOM 0 HB3 ARG A 76 35.144 -12.386 4.993 1.00 43.21 H new ATOM 0 HG2 ARG A 76 34.892 -14.751 4.548 1.00 22.11 H new ATOM 0 HG3 ARG A 76 35.702 -14.608 3.000 1.00 22.11 H new ATOM 0 HD2 ARG A 76 37.268 -15.522 4.613 1.00 62.25 H new ATOM 0 HD3 ARG A 76 37.795 -13.910 4.172 1.00 62.25 H new ATOM 0 HE ARG A 76 36.124 -13.726 6.494 1.00 62.23 H new ATOM 0 HH11 ARG A 76 39.293 -14.881 5.451 1.00 14.22 H new ATOM 0 HH12 ARG A 76 40.029 -14.648 7.040 1.00 14.22 H new ATOM 0 HH21 ARG A 76 37.077 -13.428 8.532 1.00 13.40 H new ATOM 0 HH22 ARG A 76 38.780 -13.828 8.776 1.00 13.40 H new ATOM 1202 N SER A 77 33.294 -10.493 4.336 1.00 1.10 N ATOM 1203 CA SER A 77 32.335 -9.751 5.145 1.00 1.41 C ATOM 1204 C SER A 77 30.954 -9.758 4.495 1.00 53.13 C ATOM 1205 O SER A 77 29.936 -9.899 5.173 1.00 52.32 O ATOM 1206 CB SER A 77 32.810 -8.310 5.343 1.00 1.14 C ATOM 1207 OG SER A 77 33.790 -8.232 6.363 1.00 23.32 O ATOM 0 H SER A 77 34.149 -9.980 4.119 1.00 1.10 H new ATOM 0 HA SER A 77 32.262 -10.240 6.117 1.00 1.41 H new ATOM 0 HB2 SER A 77 33.222 -7.928 4.409 1.00 1.14 H new ATOM 0 HB3 SER A 77 31.961 -7.676 5.600 1.00 1.14 H new ATOM 0 HG SER A 77 34.078 -7.301 6.469 1.00 23.32 H new ATOM 1213 N LEU A 78 30.929 -9.605 3.175 1.00 2.53 N ATOM 1214 CA LEU A 78 29.674 -9.594 2.431 1.00 44.44 C ATOM 1215 C LEU A 78 28.947 -10.927 2.569 1.00 1.41 C ATOM 1216 O LEU A 78 27.798 -10.976 3.010 1.00 72.20 O ATOM 1217 CB LEU A 78 29.938 -9.294 0.954 1.00 2.01 C ATOM 1218 CG LEU A 78 29.606 -7.876 0.487 1.00 55.31 C ATOM 1219 CD1 LEU A 78 28.145 -7.553 0.758 1.00 13.52 C ATOM 1220 CD2 LEU A 78 30.513 -6.863 1.169 1.00 34.21 C ATOM 0 H LEU A 78 31.762 -9.487 2.599 1.00 2.53 H new ATOM 0 HA LEU A 78 29.040 -8.811 2.847 1.00 44.44 H new ATOM 0 HB2 LEU A 78 30.991 -9.486 0.748 1.00 2.01 H new ATOM 0 HB3 LEU A 78 29.362 -9.997 0.353 1.00 2.01 H new ATOM 0 HG LEU A 78 29.776 -7.820 -0.588 1.00 55.31 H new ATOM 0 HD11 LEU A 78 27.927 -6.540 0.419 1.00 13.52 H new ATOM 0 HD12 LEU A 78 27.511 -8.259 0.222 1.00 13.52 H new ATOM 0 HD13 LEU A 78 27.948 -7.628 1.827 1.00 13.52 H new ATOM 0 HD21 LEU A 78 30.262 -5.860 0.824 1.00 34.21 H new ATOM 0 HD22 LEU A 78 30.376 -6.921 2.249 1.00 34.21 H new ATOM 0 HD23 LEU A 78 31.552 -7.082 0.923 1.00 34.21 H new ATOM 1232 N TYR A 79 29.624 -12.005 2.192 1.00 55.23 N ATOM 1233 CA TYR A 79 29.042 -13.340 2.273 1.00 71.15 C ATOM 1234 C TYR A 79 28.487 -13.608 3.669 1.00 11.15 C ATOM 1235 O TYR A 79 27.525 -14.357 3.832 1.00 23.15 O ATOM 1236 CB TYR A 79 30.088 -14.398 1.918 1.00 52.04 C ATOM 1237 CG TYR A 79 29.511 -15.610 1.221 1.00 0.10 C ATOM 1238 CD1 TYR A 79 28.967 -15.509 -0.054 1.00 3.05 C ATOM 1239 CD2 TYR A 79 29.509 -16.855 1.838 1.00 42.21 C ATOM 1240 CE1 TYR A 79 28.438 -16.614 -0.694 1.00 64.30 C ATOM 1241 CE2 TYR A 79 28.984 -17.965 1.205 1.00 3.52 C ATOM 1242 CZ TYR A 79 28.449 -17.838 -0.062 1.00 34.51 C ATOM 1243 OH TYR A 79 27.923 -18.941 -0.695 1.00 34.32 O ATOM 0 H TYR A 79 30.576 -11.981 1.827 1.00 55.23 H new ATOM 0 HA TYR A 79 28.222 -13.395 1.557 1.00 71.15 H new ATOM 0 HB2 TYR A 79 30.846 -13.947 1.277 1.00 52.04 H new ATOM 0 HB3 TYR A 79 30.592 -14.719 2.830 1.00 52.04 H new ATOM 0 HD1 TYR A 79 28.957 -14.551 -0.553 1.00 3.05 H new ATOM 0 HD2 TYR A 79 29.925 -16.957 2.829 1.00 42.21 H new ATOM 0 HE1 TYR A 79 28.018 -16.518 -1.684 1.00 64.30 H new ATOM 0 HE2 TYR A 79 28.992 -18.926 1.698 1.00 3.52 H new ATOM 0 HH TYR A 79 28.010 -19.725 -0.113 1.00 34.32 H new ATOM 1253 N ASN A 80 29.100 -12.988 4.671 1.00 74.52 N ATOM 1254 CA ASN A 80 28.668 -13.158 6.054 1.00 2.33 C ATOM 1255 C ASN A 80 27.336 -12.455 6.298 1.00 54.22 C ATOM 1256 O ASN A 80 26.353 -13.083 6.692 1.00 22.44 O ATOM 1257 CB ASN A 80 29.728 -12.613 7.013 1.00 45.52 C ATOM 1258 CG ASN A 80 30.916 -13.545 7.151 1.00 24.44 C ATOM 1259 OD1 ASN A 80 30.756 -14.760 7.265 1.00 12.41 O ATOM 1260 ND2 ASN A 80 32.117 -12.977 7.145 1.00 52.53 N ATOM 0 H ASN A 80 29.897 -12.363 4.552 1.00 74.52 H new ATOM 0 HA ASN A 80 28.535 -14.224 6.238 1.00 2.33 H new ATOM 0 HB2 ASN A 80 30.071 -11.642 6.657 1.00 45.52 H new ATOM 0 HB3 ASN A 80 29.279 -12.453 7.993 1.00 45.52 H new ATOM 0 HD21 ASN A 80 32.954 -13.553 7.237 1.00 52.53 H new ATOM 0 HD22 ASN A 80 32.202 -11.965 7.048 1.00 52.53 H new ATOM 1267 N THR A 81 27.311 -11.147 6.060 1.00 31.21 N ATOM 1268 CA THR A 81 26.100 -10.358 6.254 1.00 50.14 C ATOM 1269 C THR A 81 24.965 -10.869 5.376 1.00 13.40 C ATOM 1270 O THR A 81 23.840 -11.054 5.843 1.00 64.13 O ATOM 1271 CB THR A 81 26.345 -8.870 5.944 1.00 42.30 C ATOM 1272 OG1 THR A 81 27.533 -8.420 6.605 1.00 45.01 O ATOM 1273 CG2 THR A 81 25.161 -8.023 6.386 1.00 73.24 C ATOM 0 H THR A 81 28.115 -10.612 5.733 1.00 31.21 H new ATOM 0 HA THR A 81 25.819 -10.462 7.302 1.00 50.14 H new ATOM 0 HB THR A 81 26.467 -8.762 4.866 1.00 42.30 H new ATOM 0 HG1 THR A 81 27.682 -7.473 6.401 1.00 45.01 H new ATOM 0 HG21 THR A 81 25.357 -6.976 6.157 1.00 73.24 H new ATOM 0 HG22 THR A 81 24.264 -8.348 5.859 1.00 73.24 H new ATOM 0 HG23 THR A 81 25.012 -8.138 7.460 1.00 73.24 H new ATOM 1281 N ILE A 82 25.265 -11.097 4.101 1.00 42.23 N ATOM 1282 CA ILE A 82 24.268 -11.589 3.158 1.00 4.40 C ATOM 1283 C ILE A 82 23.566 -12.830 3.698 1.00 1.22 C ATOM 1284 O ILE A 82 22.344 -12.949 3.615 1.00 53.12 O ATOM 1285 CB ILE A 82 24.900 -11.922 1.794 1.00 54.44 C ATOM 1286 CG1 ILE A 82 25.558 -10.678 1.194 1.00 52.11 C ATOM 1287 CG2 ILE A 82 23.850 -12.482 0.846 1.00 71.10 C ATOM 1288 CD1 ILE A 82 26.744 -10.989 0.308 1.00 73.43 C ATOM 0 H ILE A 82 26.190 -10.949 3.698 1.00 42.23 H new ATOM 0 HA ILE A 82 23.538 -10.791 3.025 1.00 4.40 H new ATOM 0 HB ILE A 82 25.669 -12.680 1.942 1.00 54.44 H new ATOM 0 HG12 ILE A 82 24.816 -10.128 0.615 1.00 52.11 H new ATOM 0 HG13 ILE A 82 25.881 -10.022 2.002 1.00 52.11 H new ATOM 0 HG21 ILE A 82 24.312 -12.712 -0.114 1.00 71.10 H new ATOM 0 HG22 ILE A 82 23.424 -13.391 1.271 1.00 71.10 H new ATOM 0 HG23 ILE A 82 23.061 -11.745 0.701 1.00 71.10 H new ATOM 0 HD11 ILE A 82 27.160 -10.060 -0.082 1.00 73.43 H new ATOM 0 HD12 ILE A 82 27.504 -11.512 0.888 1.00 73.43 H new ATOM 0 HD13 ILE A 82 26.423 -11.620 -0.521 1.00 73.43 H new ATOM 1300 N ALA A 83 24.347 -13.751 4.251 1.00 20.51 N ATOM 1301 CA ALA A 83 23.800 -14.982 4.809 1.00 12.20 C ATOM 1302 C ALA A 83 22.668 -14.686 5.786 1.00 41.01 C ATOM 1303 O ALA A 83 21.632 -15.351 5.772 1.00 54.41 O ATOM 1304 CB ALA A 83 24.896 -15.784 5.495 1.00 44.24 C ATOM 0 H ALA A 83 25.361 -13.669 4.325 1.00 20.51 H new ATOM 0 HA ALA A 83 23.392 -15.573 3.989 1.00 12.20 H new ATOM 0 HB1 ALA A 83 24.473 -16.700 5.907 1.00 44.24 H new ATOM 0 HB2 ALA A 83 25.670 -16.036 4.770 1.00 44.24 H new ATOM 0 HB3 ALA A 83 25.331 -15.191 6.300 1.00 44.24 H new ATOM 1310 N VAL A 84 22.872 -13.685 6.636 1.00 45.24 N ATOM 1311 CA VAL A 84 21.869 -13.300 7.621 1.00 21.25 C ATOM 1312 C VAL A 84 20.769 -12.457 6.985 1.00 54.30 C ATOM 1313 O VAL A 84 19.596 -12.575 7.343 1.00 43.11 O ATOM 1314 CB VAL A 84 22.496 -12.511 8.785 1.00 70.24 C ATOM 1315 CG1 VAL A 84 21.439 -12.142 9.813 1.00 3.32 C ATOM 1316 CG2 VAL A 84 23.619 -13.312 9.427 1.00 50.11 C ATOM 0 H VAL A 84 23.724 -13.125 6.662 1.00 45.24 H new ATOM 0 HA VAL A 84 21.438 -14.223 8.009 1.00 21.25 H new ATOM 0 HB VAL A 84 22.919 -11.588 8.388 1.00 70.24 H new ATOM 0 HG11 VAL A 84 21.902 -11.585 10.627 1.00 3.32 H new ATOM 0 HG12 VAL A 84 20.673 -11.526 9.342 1.00 3.32 H new ATOM 0 HG13 VAL A 84 20.983 -13.050 10.208 1.00 3.32 H new ATOM 0 HG21 VAL A 84 24.051 -12.740 10.248 1.00 50.11 H new ATOM 0 HG22 VAL A 84 23.222 -14.252 9.810 1.00 50.11 H new ATOM 0 HG23 VAL A 84 24.389 -13.519 8.684 1.00 50.11 H new ATOM 1326 N LEU A 85 21.154 -11.608 6.039 1.00 33.34 N ATOM 1327 CA LEU A 85 20.200 -10.745 5.351 1.00 61.15 C ATOM 1328 C LEU A 85 19.185 -11.570 4.569 1.00 14.31 C ATOM 1329 O LEU A 85 18.134 -11.067 4.172 1.00 42.11 O ATOM 1330 CB LEU A 85 20.935 -9.791 4.408 1.00 10.14 C ATOM 1331 CG LEU A 85 20.442 -8.344 4.399 1.00 42.24 C ATOM 1332 CD1 LEU A 85 21.551 -7.399 4.835 1.00 53.21 C ATOM 1333 CD2 LEU A 85 19.927 -7.963 3.018 1.00 74.34 C ATOM 0 H LEU A 85 22.120 -11.499 5.731 1.00 33.34 H new ATOM 0 HA LEU A 85 19.665 -10.164 6.102 1.00 61.15 H new ATOM 0 HB2 LEU A 85 21.992 -9.792 4.674 1.00 10.14 H new ATOM 0 HB3 LEU A 85 20.861 -10.185 3.395 1.00 10.14 H new ATOM 0 HG LEU A 85 19.619 -8.258 5.108 1.00 42.24 H new ATOM 0 HD11 LEU A 85 21.181 -6.374 4.822 1.00 53.21 H new ATOM 0 HD12 LEU A 85 21.872 -7.656 5.844 1.00 53.21 H new ATOM 0 HD13 LEU A 85 22.395 -7.489 4.151 1.00 53.21 H new ATOM 0 HD21 LEU A 85 19.580 -6.930 3.031 1.00 74.34 H new ATOM 0 HD22 LEU A 85 20.730 -8.067 2.289 1.00 74.34 H new ATOM 0 HD23 LEU A 85 19.101 -8.619 2.744 1.00 74.34 H new ATOM 1345 N TYR A 86 19.505 -12.842 4.352 1.00 4.52 N ATOM 1346 CA TYR A 86 18.620 -13.737 3.617 1.00 2.35 C ATOM 1347 C TYR A 86 17.697 -14.494 4.568 1.00 32.32 C ATOM 1348 O TYR A 86 16.482 -14.534 4.372 1.00 23.11 O ATOM 1349 CB TYR A 86 19.437 -14.727 2.786 1.00 51.12 C ATOM 1350 CG TYR A 86 18.596 -15.604 1.887 1.00 43.41 C ATOM 1351 CD1 TYR A 86 18.276 -15.203 0.595 1.00 53.22 C ATOM 1352 CD2 TYR A 86 18.120 -16.833 2.328 1.00 42.22 C ATOM 1353 CE1 TYR A 86 17.506 -16.001 -0.230 1.00 70.25 C ATOM 1354 CE2 TYR A 86 17.350 -17.637 1.509 1.00 64.33 C ATOM 1355 CZ TYR A 86 17.046 -17.217 0.231 1.00 64.51 C ATOM 1356 OH TYR A 86 16.280 -18.013 -0.587 1.00 55.35 O ATOM 0 H TYR A 86 20.370 -13.275 4.675 1.00 4.52 H new ATOM 0 HA TYR A 86 18.006 -13.132 2.950 1.00 2.35 H new ATOM 0 HB2 TYR A 86 20.150 -14.173 2.175 1.00 51.12 H new ATOM 0 HB3 TYR A 86 20.017 -15.360 3.458 1.00 51.12 H new ATOM 0 HD1 TYR A 86 18.635 -14.252 0.230 1.00 53.22 H new ATOM 0 HD2 TYR A 86 18.356 -17.166 3.328 1.00 42.22 H new ATOM 0 HE1 TYR A 86 17.266 -15.674 -1.231 1.00 70.25 H new ATOM 0 HE2 TYR A 86 16.988 -18.589 1.868 1.00 64.33 H new ATOM 0 HH TYR A 86 16.238 -18.919 -0.216 1.00 55.35 H new ATOM 1366 N CYS A 87 18.284 -15.093 5.599 1.00 52.32 N ATOM 1367 CA CYS A 87 17.517 -15.849 6.582 1.00 10.42 C ATOM 1368 C CYS A 87 16.421 -14.986 7.197 1.00 42.21 C ATOM 1369 O CYS A 87 15.415 -15.498 7.688 1.00 31.41 O ATOM 1370 CB CYS A 87 18.440 -16.383 7.678 1.00 23.24 C ATOM 1371 SG CYS A 87 18.941 -15.137 8.891 1.00 54.23 S ATOM 0 H CYS A 87 19.288 -15.069 5.775 1.00 52.32 H new ATOM 0 HA CYS A 87 17.047 -16.690 6.072 1.00 10.42 H new ATOM 0 HB2 CYS A 87 17.937 -17.199 8.197 1.00 23.24 H new ATOM 0 HB3 CYS A 87 19.332 -16.803 7.214 1.00 23.24 H new ATOM 0 HG CYS A 87 19.232 -14.028 8.279 1.00 54.23 H new ATOM 1377 N VAL A 88 16.622 -13.672 7.167 1.00 75.55 N ATOM 1378 CA VAL A 88 15.651 -12.737 7.723 1.00 75.35 C ATOM 1379 C VAL A 88 14.410 -12.647 6.843 1.00 14.31 C ATOM 1380 O VAL A 88 13.289 -12.538 7.341 1.00 25.40 O ATOM 1381 CB VAL A 88 16.256 -11.330 7.883 1.00 21.12 C ATOM 1382 CG1 VAL A 88 15.201 -10.347 8.367 1.00 33.42 C ATOM 1383 CG2 VAL A 88 17.441 -11.365 8.836 1.00 23.30 C ATOM 0 H VAL A 88 17.449 -13.231 6.763 1.00 75.55 H new ATOM 0 HA VAL A 88 15.370 -13.118 8.705 1.00 75.35 H new ATOM 0 HB VAL A 88 16.612 -10.994 6.909 1.00 21.12 H new ATOM 0 HG11 VAL A 88 15.647 -9.358 8.474 1.00 33.42 H new ATOM 0 HG12 VAL A 88 14.387 -10.301 7.644 1.00 33.42 H new ATOM 0 HG13 VAL A 88 14.812 -10.676 9.331 1.00 33.42 H new ATOM 0 HG21 VAL A 88 17.856 -10.362 8.937 1.00 23.30 H new ATOM 0 HG22 VAL A 88 17.113 -11.722 9.812 1.00 23.30 H new ATOM 0 HG23 VAL A 88 18.205 -12.036 8.442 1.00 23.30 H new ATOM 1393 N HIS A 89 14.616 -12.697 5.531 1.00 65.11 N ATOM 1394 CA HIS A 89 13.512 -12.622 4.579 1.00 22.13 C ATOM 1395 C HIS A 89 12.959 -14.012 4.281 1.00 13.15 C ATOM 1396 O HIS A 89 11.773 -14.090 3.959 1.00 54.13 O ATOM 1397 CB HIS A 89 13.972 -11.955 3.282 1.00 74.00 C ATOM 1398 CG HIS A 89 14.562 -10.594 3.486 1.00 64.14 C ATOM 1399 ND1 HIS A 89 14.041 -9.672 4.369 1.00 42.13 N ATOM 1400 CD2 HIS A 89 15.637 -10.000 2.915 1.00 5.33 C ATOM 1401 CE1 HIS A 89 14.769 -8.570 4.331 1.00 61.54 C ATOM 1402 NE2 HIS A 89 15.744 -8.743 3.457 1.00 14.14 N ATOM 0 H HIS A 89 15.537 -12.789 5.102 1.00 65.11 H new ATOM 0 HA HIS A 89 12.720 -12.021 5.025 1.00 22.13 H new ATOM 0 HB2 HIS A 89 14.710 -12.593 2.797 1.00 74.00 H new ATOM 0 HB3 HIS A 89 13.123 -11.876 2.603 1.00 74.00 H new ATOM 0 HD1 HIS A 89 13.222 -9.818 4.959 1.00 42.13 H new ATOM 0 HD2 HIS A 89 16.289 -10.434 2.172 1.00 5.33 H new ATOM 0 HE1 HIS A 89 14.596 -7.679 4.916 1.00 61.54 H new ATOM 1411 N GLN A 90 13.755 -15.072 4.377 1.00 3.34 N ATOM 1412 CA GLN A 90 13.269 -16.419 4.102 1.00 53.35 C ATOM 1413 C GLN A 90 12.851 -17.121 5.389 1.00 41.42 C ATOM 1414 O GLN A 90 12.283 -18.214 5.355 1.00 44.32 O ATOM 1415 CB GLN A 90 14.348 -17.237 3.388 1.00 64.54 C ATOM 1416 CG GLN A 90 14.040 -17.506 1.925 1.00 42.13 C ATOM 1417 CD GLN A 90 12.671 -18.122 1.720 1.00 20.34 C ATOM 1418 OE1 GLN A 90 12.163 -18.837 2.586 1.00 25.22 O ATOM 1419 NE2 GLN A 90 12.062 -17.848 0.572 1.00 74.34 N ATOM 0 H GLN A 90 14.739 -15.024 4.643 1.00 3.34 H new ATOM 0 HA GLN A 90 12.396 -16.338 3.455 1.00 53.35 H new ATOM 0 HB2 GLN A 90 15.299 -16.709 3.459 1.00 64.54 H new ATOM 0 HB3 GLN A 90 14.472 -18.188 3.905 1.00 64.54 H new ATOM 0 HG2 GLN A 90 14.101 -16.571 1.367 1.00 42.13 H new ATOM 0 HG3 GLN A 90 14.799 -18.172 1.515 1.00 42.13 H new ATOM 0 HE21 GLN A 90 12.519 -17.251 -0.118 1.00 74.34 H new ATOM 0 HE22 GLN A 90 11.138 -18.234 0.380 1.00 74.34 H new ATOM 1428 N ARG A 91 13.135 -16.488 6.521 1.00 25.43 N ATOM 1429 CA ARG A 91 12.788 -17.052 7.821 1.00 51.11 C ATOM 1430 C ARG A 91 13.543 -18.355 8.065 1.00 73.11 C ATOM 1431 O ARG A 91 12.957 -19.356 8.479 1.00 51.14 O ATOM 1432 CB ARG A 91 11.282 -17.300 7.907 1.00 12.35 C ATOM 1433 CG ARG A 91 10.777 -17.497 9.327 1.00 24.33 C ATOM 1434 CD ARG A 91 9.656 -16.523 9.661 1.00 73.43 C ATOM 1435 NE ARG A 91 8.354 -17.019 9.225 1.00 11.23 N ATOM 1436 CZ ARG A 91 7.244 -16.290 9.255 1.00 12.31 C ATOM 1437 NH1 ARG A 91 7.278 -15.042 9.696 1.00 24.44 N ATOM 1438 NH2 ARG A 91 6.095 -16.812 8.841 1.00 65.25 N ATOM 0 H ARG A 91 13.605 -15.584 6.566 1.00 25.43 H new ATOM 0 HA ARG A 91 13.076 -16.335 8.590 1.00 51.11 H new ATOM 0 HB2 ARG A 91 10.757 -16.457 7.458 1.00 12.35 H new ATOM 0 HB3 ARG A 91 11.033 -18.182 7.316 1.00 12.35 H new ATOM 0 HG2 ARG A 91 10.420 -18.520 9.449 1.00 24.33 H new ATOM 0 HG3 ARG A 91 11.600 -17.361 10.029 1.00 24.33 H new ATOM 0 HD2 ARG A 91 9.636 -16.348 10.737 1.00 73.43 H new ATOM 0 HD3 ARG A 91 9.856 -15.563 9.186 1.00 73.43 H new ATOM 0 HE ARG A 91 8.293 -17.977 8.879 1.00 11.23 H new ATOM 0 HH11 ARG A 91 8.159 -14.637 10.014 1.00 24.44 H new ATOM 0 HH12 ARG A 91 6.424 -14.485 9.718 1.00 24.44 H new ATOM 0 HH21 ARG A 91 6.065 -17.773 8.500 1.00 65.25 H new ATOM 0 HH22 ARG A 91 5.243 -16.252 8.864 1.00 65.25 H new ATOM 1452 N ILE A 92 14.847 -18.335 7.807 1.00 72.22 N ATOM 1453 CA ILE A 92 15.682 -19.514 8.000 1.00 15.25 C ATOM 1454 C ILE A 92 16.304 -19.526 9.392 1.00 22.34 C ATOM 1455 O ILE A 92 17.030 -18.606 9.766 1.00 62.23 O ATOM 1456 CB ILE A 92 16.804 -19.588 6.948 1.00 64.42 C ATOM 1457 CG1 ILE A 92 16.210 -19.636 5.539 1.00 43.44 C ATOM 1458 CG2 ILE A 92 17.686 -20.801 7.199 1.00 73.21 C ATOM 1459 CD1 ILE A 92 17.167 -19.170 4.464 1.00 60.31 C ATOM 0 H ILE A 92 15.348 -17.515 7.464 1.00 72.22 H new ATOM 0 HA ILE A 92 15.032 -20.382 7.888 1.00 15.25 H new ATOM 0 HB ILE A 92 17.420 -18.692 7.031 1.00 64.42 H new ATOM 0 HG12 ILE A 92 15.899 -20.657 5.319 1.00 43.44 H new ATOM 0 HG13 ILE A 92 15.314 -19.016 5.510 1.00 43.44 H new ATOM 0 HG21 ILE A 92 18.474 -20.839 6.447 1.00 73.21 H new ATOM 0 HG22 ILE A 92 18.133 -20.727 8.190 1.00 73.21 H new ATOM 0 HG23 ILE A 92 17.084 -21.707 7.140 1.00 73.21 H new ATOM 0 HD11 ILE A 92 16.679 -19.231 3.491 1.00 60.31 H new ATOM 0 HD12 ILE A 92 17.459 -18.138 4.659 1.00 60.31 H new ATOM 0 HD13 ILE A 92 18.053 -19.805 4.466 1.00 60.31 H new ATOM 1471 N ASP A 93 16.013 -20.575 10.155 1.00 64.04 N ATOM 1472 CA ASP A 93 16.546 -20.708 11.506 1.00 61.12 C ATOM 1473 C ASP A 93 18.070 -20.637 11.499 1.00 55.42 C ATOM 1474 O ASP A 93 18.735 -21.411 10.809 1.00 33.13 O ATOM 1475 CB ASP A 93 16.088 -22.027 12.130 1.00 3.43 C ATOM 1476 CG ASP A 93 14.876 -21.854 13.024 1.00 42.43 C ATOM 1477 OD1 ASP A 93 13.988 -21.049 12.672 1.00 62.15 O ATOM 1478 OD2 ASP A 93 14.814 -22.524 14.076 1.00 73.13 O ATOM 0 H ASP A 93 15.412 -21.345 9.861 1.00 64.04 H new ATOM 0 HA ASP A 93 16.164 -19.880 12.103 1.00 61.12 H new ATOM 0 HB2 ASP A 93 15.853 -22.738 11.338 1.00 3.43 H new ATOM 0 HB3 ASP A 93 16.906 -22.455 12.710 1.00 3.43 H new ATOM 1483 N VAL A 94 18.618 -19.703 12.269 1.00 50.51 N ATOM 1484 CA VAL A 94 20.063 -19.530 12.352 1.00 54.14 C ATOM 1485 C VAL A 94 20.475 -18.985 13.714 1.00 12.35 C ATOM 1486 O VAL A 94 19.734 -18.228 14.342 1.00 71.24 O ATOM 1487 CB VAL A 94 20.579 -18.581 11.254 1.00 12.01 C ATOM 1488 CG1 VAL A 94 20.311 -19.164 9.875 1.00 2.31 C ATOM 1489 CG2 VAL A 94 19.941 -17.207 11.395 1.00 15.25 C ATOM 0 H VAL A 94 18.082 -19.054 12.845 1.00 50.51 H new ATOM 0 HA VAL A 94 20.507 -20.515 12.209 1.00 54.14 H new ATOM 0 HB VAL A 94 21.657 -18.469 11.371 1.00 12.01 H new ATOM 0 HG11 VAL A 94 20.682 -18.480 9.112 1.00 2.31 H new ATOM 0 HG12 VAL A 94 20.820 -20.123 9.780 1.00 2.31 H new ATOM 0 HG13 VAL A 94 19.239 -19.307 9.743 1.00 2.31 H new ATOM 0 HG21 VAL A 94 20.317 -16.549 10.611 1.00 15.25 H new ATOM 0 HG22 VAL A 94 18.859 -17.297 11.305 1.00 15.25 H new ATOM 0 HG23 VAL A 94 20.190 -16.789 12.370 1.00 15.25 H new ATOM 1499 N LYS A 95 21.662 -19.375 14.167 1.00 24.32 N ATOM 1500 CA LYS A 95 22.175 -18.924 15.455 1.00 1.21 C ATOM 1501 C LYS A 95 23.202 -17.811 15.272 1.00 21.44 C ATOM 1502 O LYS A 95 23.402 -16.987 16.165 1.00 24.34 O ATOM 1503 CB LYS A 95 22.806 -20.095 16.213 1.00 5.11 C ATOM 1504 CG LYS A 95 23.082 -19.793 17.676 1.00 21.22 C ATOM 1505 CD LYS A 95 22.348 -20.758 18.593 1.00 43.34 C ATOM 1506 CE LYS A 95 20.994 -20.206 19.012 1.00 10.52 C ATOM 1507 NZ LYS A 95 19.886 -20.777 18.196 1.00 32.32 N ATOM 0 H LYS A 95 22.287 -20.003 13.661 1.00 24.32 H new ATOM 0 HA LYS A 95 21.339 -18.531 16.034 1.00 1.21 H new ATOM 0 HB2 LYS A 95 22.144 -20.959 16.147 1.00 5.11 H new ATOM 0 HB3 LYS A 95 23.741 -20.372 15.725 1.00 5.11 H new ATOM 0 HG2 LYS A 95 24.154 -19.854 17.865 1.00 21.22 H new ATOM 0 HG3 LYS A 95 22.776 -18.771 17.902 1.00 21.22 H new ATOM 0 HD2 LYS A 95 22.212 -21.713 18.085 1.00 43.34 H new ATOM 0 HD3 LYS A 95 22.953 -20.952 19.479 1.00 43.34 H new ATOM 0 HE2 LYS A 95 20.821 -20.428 20.065 1.00 10.52 H new ATOM 0 HE3 LYS A 95 20.997 -19.121 18.911 1.00 10.52 H new ATOM 0 HZ1 LYS A 95 18.980 -20.376 18.512 1.00 32.32 H new ATOM 0 HZ2 LYS A 95 20.037 -20.544 17.194 1.00 32.32 H new ATOM 0 HZ3 LYS A 95 19.867 -21.810 18.312 1.00 32.32 H new ATOM 1521 N ASP A 96 23.847 -17.791 14.112 1.00 34.32 N ATOM 1522 CA ASP A 96 24.851 -16.778 13.812 1.00 2.43 C ATOM 1523 C ASP A 96 25.115 -16.702 12.312 1.00 3.54 C ATOM 1524 O ASP A 96 24.458 -17.378 11.519 1.00 30.32 O ATOM 1525 CB ASP A 96 26.152 -17.081 14.557 1.00 42.02 C ATOM 1526 CG ASP A 96 26.628 -18.503 14.333 1.00 33.03 C ATOM 1527 OD1 ASP A 96 26.986 -18.836 13.184 1.00 63.11 O ATOM 1528 OD2 ASP A 96 26.644 -19.283 15.309 1.00 1.54 O ATOM 0 H ASP A 96 23.692 -18.466 13.363 1.00 34.32 H new ATOM 0 HA ASP A 96 24.468 -15.813 14.145 1.00 2.43 H new ATOM 0 HB2 ASP A 96 26.925 -16.386 14.230 1.00 42.02 H new ATOM 0 HB3 ASP A 96 26.004 -16.914 15.624 1.00 42.02 H new ATOM 1533 N THR A 97 26.080 -15.871 11.926 1.00 35.22 N ATOM 1534 CA THR A 97 26.429 -15.705 10.521 1.00 32.11 C ATOM 1535 C THR A 97 26.871 -17.027 9.904 1.00 0.22 C ATOM 1536 O THR A 97 26.581 -17.309 8.742 1.00 61.00 O ATOM 1537 CB THR A 97 27.553 -14.666 10.341 1.00 12.55 C ATOM 1538 OG1 THR A 97 27.155 -13.413 10.908 1.00 50.31 O ATOM 1539 CG2 THR A 97 27.886 -14.481 8.869 1.00 55.13 C ATOM 0 H THR A 97 26.633 -15.303 12.568 1.00 35.22 H new ATOM 0 HA THR A 97 25.532 -15.352 10.012 1.00 32.11 H new ATOM 0 HB THR A 97 28.443 -15.030 10.855 1.00 12.55 H new ATOM 0 HG1 THR A 97 26.769 -13.564 11.796 1.00 50.31 H new ATOM 0 HG21 THR A 97 28.682 -13.743 8.766 1.00 55.13 H new ATOM 0 HG22 THR A 97 28.215 -15.431 8.448 1.00 55.13 H new ATOM 0 HG23 THR A 97 27.000 -14.136 8.336 1.00 55.13 H new ATOM 1547 N LYS A 98 27.574 -17.836 10.690 1.00 61.53 N ATOM 1548 CA LYS A 98 28.055 -19.130 10.222 1.00 71.23 C ATOM 1549 C LYS A 98 26.890 -20.062 9.907 1.00 73.21 C ATOM 1550 O LYS A 98 26.866 -20.708 8.860 1.00 75.44 O ATOM 1551 CB LYS A 98 28.965 -19.771 11.274 1.00 45.30 C ATOM 1552 CG LYS A 98 30.381 -20.020 10.784 1.00 2.52 C ATOM 1553 CD LYS A 98 30.645 -21.501 10.575 1.00 60.22 C ATOM 1554 CE LYS A 98 30.315 -21.932 9.155 1.00 12.24 C ATOM 1555 NZ LYS A 98 30.881 -23.272 8.835 1.00 42.23 N ATOM 0 H LYS A 98 27.823 -17.618 11.655 1.00 61.53 H new ATOM 0 HA LYS A 98 28.625 -18.968 9.307 1.00 71.23 H new ATOM 0 HB2 LYS A 98 29.002 -19.126 12.152 1.00 45.30 H new ATOM 0 HB3 LYS A 98 28.528 -20.718 11.592 1.00 45.30 H new ATOM 0 HG2 LYS A 98 30.543 -19.485 9.848 1.00 2.52 H new ATOM 0 HG3 LYS A 98 31.093 -19.621 11.507 1.00 2.52 H new ATOM 0 HD2 LYS A 98 31.692 -21.718 10.788 1.00 60.22 H new ATOM 0 HD3 LYS A 98 30.049 -22.081 11.280 1.00 60.22 H new ATOM 0 HE2 LYS A 98 29.233 -21.955 9.025 1.00 12.24 H new ATOM 0 HE3 LYS A 98 30.705 -21.196 8.452 1.00 12.24 H new ATOM 0 HZ1 LYS A 98 30.634 -23.529 7.858 1.00 42.23 H new ATOM 0 HZ2 LYS A 98 31.916 -23.244 8.934 1.00 42.23 H new ATOM 0 HZ3 LYS A 98 30.489 -23.979 9.489 1.00 42.23 H new ATOM 1569 N GLU A 99 25.924 -20.125 10.819 1.00 72.01 N ATOM 1570 CA GLU A 99 24.756 -20.978 10.636 1.00 44.22 C ATOM 1571 C GLU A 99 24.028 -20.633 9.340 1.00 34.11 C ATOM 1572 O GLU A 99 23.750 -21.509 8.520 1.00 65.23 O ATOM 1573 CB GLU A 99 23.802 -20.834 11.823 1.00 1.14 C ATOM 1574 CG GLU A 99 23.258 -22.160 12.331 1.00 62.25 C ATOM 1575 CD GLU A 99 22.381 -22.858 11.312 1.00 13.52 C ATOM 1576 OE1 GLU A 99 21.395 -22.242 10.855 1.00 64.52 O ATOM 1577 OE2 GLU A 99 22.677 -24.023 10.972 1.00 41.21 O ATOM 0 H GLU A 99 25.928 -19.596 11.691 1.00 72.01 H new ATOM 0 HA GLU A 99 25.098 -22.011 10.576 1.00 44.22 H new ATOM 0 HB2 GLU A 99 24.322 -20.328 12.637 1.00 1.14 H new ATOM 0 HB3 GLU A 99 22.968 -20.196 11.532 1.00 1.14 H new ATOM 0 HG2 GLU A 99 24.090 -22.812 12.596 1.00 62.25 H new ATOM 0 HG3 GLU A 99 22.684 -21.988 13.242 1.00 62.25 H new ATOM 1584 N ALA A 100 23.722 -19.352 9.162 1.00 21.55 N ATOM 1585 CA ALA A 100 23.028 -18.891 7.967 1.00 11.31 C ATOM 1586 C ALA A 100 23.785 -19.290 6.704 1.00 63.53 C ATOM 1587 O ALA A 100 23.197 -19.419 5.630 1.00 40.13 O ATOM 1588 CB ALA A 100 22.838 -17.382 8.015 1.00 70.41 C ATOM 0 H ALA A 100 23.944 -18.615 9.831 1.00 21.55 H new ATOM 0 HA ALA A 100 22.049 -19.369 7.939 1.00 11.31 H new ATOM 0 HB1 ALA A 100 22.318 -17.052 7.116 1.00 70.41 H new ATOM 0 HB2 ALA A 100 22.248 -17.117 8.893 1.00 70.41 H new ATOM 0 HB3 ALA A 100 23.811 -16.894 8.071 1.00 70.41 H new ATOM 1594 N LEU A 101 25.092 -19.483 6.840 1.00 23.22 N ATOM 1595 CA LEU A 101 25.931 -19.867 5.710 1.00 4.45 C ATOM 1596 C LEU A 101 25.658 -21.309 5.296 1.00 40.25 C ATOM 1597 O LEU A 101 25.570 -21.618 4.106 1.00 62.21 O ATOM 1598 CB LEU A 101 27.409 -19.697 6.065 1.00 21.21 C ATOM 1599 CG LEU A 101 28.325 -19.245 4.927 1.00 34.42 C ATOM 1600 CD1 LEU A 101 28.353 -20.288 3.820 1.00 45.31 C ATOM 1601 CD2 LEU A 101 27.876 -17.898 4.384 1.00 1.31 C ATOM 0 H LEU A 101 25.594 -19.380 7.722 1.00 23.22 H new ATOM 0 HA LEU A 101 25.689 -19.215 4.871 1.00 4.45 H new ATOM 0 HB2 LEU A 101 27.486 -18.973 6.876 1.00 21.21 H new ATOM 0 HB3 LEU A 101 27.781 -20.647 6.449 1.00 21.21 H new ATOM 0 HG LEU A 101 29.336 -19.135 5.320 1.00 34.42 H new ATOM 0 HD11 LEU A 101 29.010 -19.950 3.018 1.00 45.31 H new ATOM 0 HD12 LEU A 101 28.724 -21.232 4.219 1.00 45.31 H new ATOM 0 HD13 LEU A 101 27.346 -20.430 3.428 1.00 45.31 H new ATOM 0 HD21 LEU A 101 28.539 -17.592 3.575 1.00 1.31 H new ATOM 0 HD22 LEU A 101 26.857 -17.979 4.006 1.00 1.31 H new ATOM 0 HD23 LEU A 101 27.909 -17.155 5.181 1.00 1.31 H new ATOM 1613 N ASP A 102 25.524 -22.188 6.282 1.00 42.11 N ATOM 1614 CA ASP A 102 25.258 -23.597 6.020 1.00 52.41 C ATOM 1615 C ASP A 102 23.824 -23.800 5.541 1.00 45.52 C ATOM 1616 O ASP A 102 23.573 -24.543 4.591 1.00 65.23 O ATOM 1617 CB ASP A 102 25.510 -24.429 7.279 1.00 1.42 C ATOM 1618 CG ASP A 102 26.423 -25.611 7.018 1.00 3.14 C ATOM 1619 OD1 ASP A 102 27.532 -25.398 6.484 1.00 2.15 O ATOM 1620 OD2 ASP A 102 26.028 -26.750 7.348 1.00 60.25 O ATOM 0 H ASP A 102 25.595 -21.949 7.271 1.00 42.11 H new ATOM 0 HA ASP A 102 25.936 -23.928 5.233 1.00 52.41 H new ATOM 0 HB2 ASP A 102 25.952 -23.795 8.048 1.00 1.42 H new ATOM 0 HB3 ASP A 102 24.558 -24.788 7.670 1.00 1.42 H new ATOM 1625 N LYS A 103 22.884 -23.135 6.205 1.00 72.05 N ATOM 1626 CA LYS A 103 21.474 -23.241 5.848 1.00 40.11 C ATOM 1627 C LYS A 103 21.256 -22.879 4.383 1.00 3.43 C ATOM 1628 O LYS A 103 20.334 -23.382 3.741 1.00 11.44 O ATOM 1629 CB LYS A 103 20.631 -22.328 6.742 1.00 12.44 C ATOM 1630 CG LYS A 103 20.184 -22.987 8.035 1.00 31.24 C ATOM 1631 CD LYS A 103 19.140 -24.062 7.782 1.00 53.11 C ATOM 1632 CE LYS A 103 19.151 -25.119 8.876 1.00 40.35 C ATOM 1633 NZ LYS A 103 18.140 -26.184 8.627 1.00 74.43 N ATOM 0 H LYS A 103 23.074 -22.517 6.994 1.00 72.05 H new ATOM 0 HA LYS A 103 21.162 -24.275 5.999 1.00 40.11 H new ATOM 0 HB2 LYS A 103 21.207 -21.434 6.980 1.00 12.44 H new ATOM 0 HB3 LYS A 103 19.751 -22.002 6.187 1.00 12.44 H new ATOM 0 HG2 LYS A 103 21.046 -23.427 8.537 1.00 31.24 H new ATOM 0 HG3 LYS A 103 19.775 -22.232 8.706 1.00 31.24 H new ATOM 0 HD2 LYS A 103 18.152 -23.605 7.726 1.00 53.11 H new ATOM 0 HD3 LYS A 103 19.328 -24.533 6.817 1.00 53.11 H new ATOM 0 HE2 LYS A 103 20.143 -25.567 8.939 1.00 40.35 H new ATOM 0 HE3 LYS A 103 18.953 -24.648 9.839 1.00 40.35 H new ATOM 0 HZ1 LYS A 103 18.178 -26.885 9.394 1.00 74.43 H new ATOM 0 HZ2 LYS A 103 17.191 -25.760 8.592 1.00 74.43 H new ATOM 0 HZ3 LYS A 103 18.344 -26.651 7.720 1.00 74.43 H new ATOM 1647 N ILE A 104 22.108 -22.005 3.860 1.00 74.52 N ATOM 1648 CA ILE A 104 22.009 -21.579 2.471 1.00 42.44 C ATOM 1649 C ILE A 104 22.922 -22.410 1.574 1.00 3.54 C ATOM 1650 O ILE A 104 22.672 -22.547 0.377 1.00 42.52 O ATOM 1651 CB ILE A 104 22.370 -20.090 2.311 1.00 44.52 C ATOM 1652 CG1 ILE A 104 21.449 -19.224 3.174 1.00 72.13 C ATOM 1653 CG2 ILE A 104 22.278 -19.676 0.850 1.00 50.33 C ATOM 1654 CD1 ILE A 104 21.889 -17.780 3.266 1.00 5.33 C ATOM 0 H ILE A 104 22.876 -21.578 4.378 1.00 74.52 H new ATOM 0 HA ILE A 104 20.972 -21.728 2.169 1.00 42.44 H new ATOM 0 HB ILE A 104 23.397 -19.943 2.646 1.00 44.52 H new ATOM 0 HG12 ILE A 104 20.439 -19.262 2.765 1.00 72.13 H new ATOM 0 HG13 ILE A 104 21.403 -19.646 4.178 1.00 72.13 H new ATOM 0 HG21 ILE A 104 22.536 -18.621 0.754 1.00 50.33 H new ATOM 0 HG22 ILE A 104 22.970 -20.274 0.258 1.00 50.33 H new ATOM 0 HG23 ILE A 104 21.262 -19.835 0.490 1.00 50.33 H new ATOM 0 HD11 ILE A 104 21.190 -17.226 3.893 1.00 5.33 H new ATOM 0 HD12 ILE A 104 22.886 -17.731 3.703 1.00 5.33 H new ATOM 0 HD13 ILE A 104 21.908 -17.341 2.268 1.00 5.33 H new